USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 652 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 48 LYS NZ :NH3+ 145:sc= -0.575 (180deg=-2.04!) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 176:sc= 0.571 (180deg=0.557) USER MOD Set 2.1: A 16 HIS : no HD1:sc= -0.24 X(o=-0.35,f=-0.24) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.114 X(o=-0.35,f=-0.24) USER MOD Set 3.1: A 10 TYR OH : rot -66:sc= 0.194 USER MOD Set 3.2: A 45 HIS : no HD1:sc= 0.0999 K(o=0.29,f=-1.1) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0124 K(o=-0.012,f=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc=-0.00248 (180deg=-0.0605) USER MOD Single : A 19 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -72:sc= 1.22 USER MOD Single : A 39 TYR OH : rot -143:sc= 0.487 USER MOD Single : A 42 THR OG1 : rot 77:sc= -0.392 USER MOD Single : A 43 TYR OH : rot -153:sc= 0.215 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 63 TYR OH : rot 133:sc= -1.48! USER MOD Single : A 65 GLN : amide:sc= -1.05 K(o=-1,f=0) USER MOD Single : A 75 THR OG1 : rot -10:sc= 0.48 USER MOD Single : A 76 GLN : amide:sc= -0.621 K(o=-0.62,f=-4.9!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 75:sc= 0.986 USER MOD Single : A 83 GLN : amide:sc= -0.974 K(o=-0.97,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -11.006 0.924 8.809 1.00 0.00 N ATOM 72 CA PRO A 6 -9.788 1.079 7.969 1.00 0.00 C ATOM 73 C PRO A 6 -8.449 0.978 8.734 1.00 0.00 C ATOM 74 O PRO A 6 -7.674 0.053 8.509 1.00 0.00 O ATOM 75 CB PRO A 6 -9.952 2.490 7.341 1.00 0.00 C ATOM 76 CG PRO A 6 -11.426 2.727 7.315 1.00 0.00 C ATOM 77 CD PRO A 6 -11.972 2.040 8.548 1.00 0.00 C ATOM 0 HA PRO A 6 -9.724 0.265 7.247 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.440 3.248 7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.527 2.528 6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.652 3.793 7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.873 2.318 6.409 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.026 2.725 9.394 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.980 1.662 8.379 1.00 0.00 H new ATOM 85 N PHE A 7 -8.215 1.926 9.644 1.00 0.00 N ATOM 86 CA PHE A 7 -6.930 2.077 10.372 1.00 0.00 C ATOM 87 C PHE A 7 -6.637 0.848 11.249 1.00 0.00 C ATOM 88 O PHE A 7 -5.475 0.442 11.389 1.00 0.00 O ATOM 89 CB PHE A 7 -6.943 3.371 11.232 1.00 0.00 C ATOM 90 CG PHE A 7 -5.721 3.564 12.138 1.00 0.00 C ATOM 91 CD1 PHE A 7 -4.467 3.832 11.596 1.00 0.00 C ATOM 92 CD2 PHE A 7 -5.827 3.458 13.526 1.00 0.00 C ATOM 93 CE1 PHE A 7 -3.363 3.994 12.407 1.00 0.00 C ATOM 94 CE2 PHE A 7 -4.719 3.616 14.338 1.00 0.00 C ATOM 95 CZ PHE A 7 -3.486 3.883 13.777 1.00 0.00 C ATOM 0 H PHE A 7 -8.912 2.623 9.907 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.133 2.156 9.633 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.021 4.230 10.566 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.839 3.367 11.853 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.357 3.914 10.525 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.788 3.250 13.972 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.400 4.208 11.969 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.818 3.531 15.410 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.619 4.005 14.409 1.00 0.00 H new ATOM 105 N THR A 8 -7.697 0.272 11.835 1.00 0.00 N ATOM 106 CA THR A 8 -7.594 -0.883 12.729 1.00 0.00 C ATOM 107 C THR A 8 -7.071 -2.123 11.966 1.00 0.00 C ATOM 108 O THR A 8 -6.118 -2.769 12.403 1.00 0.00 O ATOM 109 CB THR A 8 -8.983 -1.203 13.376 1.00 0.00 C ATOM 110 OG1 THR A 8 -9.564 0.001 13.899 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.870 -2.237 14.508 1.00 0.00 C ATOM 0 H THR A 8 -8.654 0.599 11.699 1.00 0.00 H new ATOM 0 HA THR A 8 -6.885 -0.635 13.519 1.00 0.00 H new ATOM 0 HB THR A 8 -9.615 -1.624 12.594 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.434 -0.204 14.301 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.858 -2.427 14.927 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.458 -3.166 14.113 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.213 -1.852 15.288 1.00 0.00 H new ATOM 119 N ARG A 9 -7.712 -2.413 10.812 1.00 0.00 N ATOM 120 CA ARG A 9 -7.366 -3.574 9.953 1.00 0.00 C ATOM 121 C ARG A 9 -6.054 -3.335 9.182 1.00 0.00 C ATOM 122 O ARG A 9 -5.399 -4.286 8.762 1.00 0.00 O ATOM 123 CB ARG A 9 -8.529 -3.925 8.994 1.00 0.00 C ATOM 124 CG ARG A 9 -8.736 -2.979 7.795 1.00 0.00 C ATOM 125 CD ARG A 9 -10.183 -3.006 7.277 1.00 0.00 C ATOM 126 NE ARG A 9 -10.303 -2.474 5.911 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.205 -1.567 5.499 1.00 0.00 C ATOM 128 NH1 ARG A 9 -12.012 -0.955 6.351 1.00 0.00 N ATOM 129 NH2 ARG A 9 -11.275 -1.256 4.232 1.00 0.00 N ATOM 0 H ARG A 9 -8.482 -1.852 10.448 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.206 -4.431 10.607 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.364 -4.932 8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.453 -3.952 9.572 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.476 -1.962 8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.058 -3.262 6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.554 -4.031 7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.816 -2.424 7.947 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.644 -2.824 5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.958 -1.168 7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.688 -0.270 6.012 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.647 -1.701 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.957 -0.568 3.913 1.00 0.00 H new ATOM 143 N TYR A 10 -5.723 -2.051 8.968 1.00 0.00 N ATOM 144 CA TYR A 10 -4.431 -1.619 8.398 1.00 0.00 C ATOM 145 C TYR A 10 -3.276 -1.993 9.346 1.00 0.00 C ATOM 146 O TYR A 10 -2.295 -2.616 8.930 1.00 0.00 O ATOM 147 CB TYR A 10 -4.457 -0.085 8.136 1.00 0.00 C ATOM 148 CG TYR A 10 -3.088 0.548 7.849 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.400 0.289 6.664 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.475 1.391 8.782 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.159 0.844 6.424 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.237 1.943 8.544 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.583 1.668 7.364 1.00 0.00 C ATOM 154 OH TYR A 10 0.656 2.208 7.134 1.00 0.00 O ATOM 0 H TYR A 10 -6.348 -1.275 9.187 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.270 -2.132 7.450 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.116 0.113 7.291 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.894 0.409 9.004 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.846 -0.357 5.922 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.984 1.613 9.708 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.641 0.632 5.500 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.781 2.589 9.279 1.00 0.00 H new ATOM 0 HH TYR A 10 1.325 1.493 7.110 1.00 0.00 H new ATOM 164 N ALA A 11 -3.427 -1.593 10.620 1.00 0.00 N ATOM 165 CA ALA A 11 -2.454 -1.886 11.688 1.00 0.00 C ATOM 166 C ALA A 11 -2.395 -3.403 11.951 1.00 0.00 C ATOM 167 O ALA A 11 -1.330 -3.946 12.242 1.00 0.00 O ATOM 168 CB ALA A 11 -2.824 -1.114 12.970 1.00 0.00 C ATOM 0 H ALA A 11 -4.232 -1.054 10.940 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.464 -1.559 11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.098 -1.338 13.752 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.817 -0.044 12.765 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.818 -1.414 13.301 1.00 0.00 H new ATOM 174 N LEU A 12 -3.562 -4.060 11.809 1.00 0.00 N ATOM 175 CA LEU A 12 -3.715 -5.527 11.919 1.00 0.00 C ATOM 176 C LEU A 12 -2.959 -6.232 10.778 1.00 0.00 C ATOM 177 O LEU A 12 -2.349 -7.277 10.990 1.00 0.00 O ATOM 178 CB LEU A 12 -5.223 -5.900 11.877 1.00 0.00 C ATOM 179 CG LEU A 12 -5.589 -7.421 11.916 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.124 -8.091 13.228 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.108 -7.629 11.669 1.00 0.00 C ATOM 0 H LEU A 12 -4.440 -3.580 11.611 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.292 -5.858 12.867 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.714 -5.413 12.720 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.650 -5.474 10.969 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.050 -7.913 11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.397 -9.146 13.215 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.042 -7.998 13.321 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.604 -7.603 14.076 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.339 -8.694 11.701 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.676 -7.111 12.441 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.376 -7.228 10.691 1.00 0.00 H new ATOM 193 N ALA A 13 -3.014 -5.637 9.573 1.00 0.00 N ATOM 194 CA ALA A 13 -2.318 -6.151 8.378 1.00 0.00 C ATOM 195 C ALA A 13 -0.798 -6.072 8.565 1.00 0.00 C ATOM 196 O ALA A 13 -0.071 -6.978 8.157 1.00 0.00 O ATOM 197 CB ALA A 13 -2.759 -5.383 7.126 1.00 0.00 C ATOM 0 H ALA A 13 -3.544 -4.783 9.399 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.588 -7.199 8.244 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.235 -5.776 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.834 -5.500 6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.522 -4.326 7.245 1.00 0.00 H new ATOM 203 N GLN A 14 -0.340 -4.983 9.198 1.00 0.00 N ATOM 204 CA GLN A 14 1.076 -4.808 9.566 1.00 0.00 C ATOM 205 C GLN A 14 1.514 -5.872 10.596 1.00 0.00 C ATOM 206 O GLN A 14 2.622 -6.401 10.501 1.00 0.00 O ATOM 207 CB GLN A 14 1.314 -3.380 10.110 1.00 0.00 C ATOM 208 CG GLN A 14 0.941 -2.258 9.126 1.00 0.00 C ATOM 209 CD GLN A 14 1.253 -0.866 9.673 1.00 0.00 C ATOM 210 OE1 GLN A 14 0.412 -0.223 10.305 1.00 0.00 O ATOM 211 NE2 GLN A 14 2.477 -0.405 9.466 1.00 0.00 N ATOM 0 H GLN A 14 -0.936 -4.201 9.469 1.00 0.00 H new ATOM 0 HA GLN A 14 1.685 -4.942 8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.736 -3.251 11.025 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.365 -3.277 10.379 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.481 -2.406 8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.122 -2.323 8.894 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.149 -0.962 8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.747 0.507 9.834 1.00 0.00 H new ATOM 220 N GLU A 15 0.617 -6.185 11.562 1.00 0.00 N ATOM 221 CA GLU A 15 0.821 -7.278 12.542 1.00 0.00 C ATOM 222 C GLU A 15 0.972 -8.626 11.814 1.00 0.00 C ATOM 223 O GLU A 15 1.835 -9.425 12.161 1.00 0.00 O ATOM 224 CB GLU A 15 -0.360 -7.351 13.562 1.00 0.00 C ATOM 225 CG GLU A 15 -0.532 -6.114 14.470 1.00 0.00 C ATOM 226 CD GLU A 15 0.612 -5.929 15.485 1.00 0.00 C ATOM 227 OE1 GLU A 15 1.686 -5.404 15.117 1.00 0.00 O ATOM 228 OE2 GLU A 15 0.451 -6.330 16.658 1.00 0.00 O ATOM 0 H GLU A 15 -0.266 -5.688 11.683 1.00 0.00 H new ATOM 0 HA GLU A 15 1.736 -7.065 13.095 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.286 -7.505 13.008 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.217 -8.227 14.194 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.600 -5.223 13.846 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.475 -6.198 15.010 1.00 0.00 H new ATOM 235 N HIS A 16 0.122 -8.854 10.791 1.00 0.00 N ATOM 236 CA HIS A 16 0.195 -10.056 9.939 1.00 0.00 C ATOM 237 C HIS A 16 1.546 -10.135 9.197 1.00 0.00 C ATOM 238 O HIS A 16 2.127 -11.209 9.116 1.00 0.00 O ATOM 239 CB HIS A 16 -1.004 -10.138 8.951 1.00 0.00 C ATOM 240 CG HIS A 16 -2.303 -10.577 9.589 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.557 -11.888 9.946 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.405 -9.883 9.953 1.00 0.00 C ATOM 243 CE1 HIS A 16 -3.750 -11.974 10.494 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.282 -10.773 10.506 1.00 0.00 N ATOM 0 H HIS A 16 -0.629 -8.213 10.535 1.00 0.00 H new ATOM 0 HA HIS A 16 0.128 -10.923 10.596 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.150 -9.160 8.492 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.753 -10.832 8.149 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.563 -8.822 9.829 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.212 -12.875 10.869 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.206 -10.541 10.871 1.00 0.00 H new ATOM 253 N LEU A 17 2.065 -8.995 8.700 1.00 0.00 N ATOM 254 CA LEU A 17 3.400 -8.933 8.051 1.00 0.00 C ATOM 255 C LEU A 17 4.514 -9.346 9.043 1.00 0.00 C ATOM 256 O LEU A 17 5.463 -10.048 8.668 1.00 0.00 O ATOM 257 CB LEU A 17 3.677 -7.511 7.478 1.00 0.00 C ATOM 258 CG LEU A 17 2.787 -7.077 6.273 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.027 -5.596 5.897 1.00 0.00 C ATOM 260 CD2 LEU A 17 3.011 -8.005 5.057 1.00 0.00 C ATOM 0 H LEU A 17 1.581 -8.098 8.734 1.00 0.00 H new ATOM 0 HA LEU A 17 3.401 -9.639 7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.547 -6.785 8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.721 -7.462 7.170 1.00 0.00 H new ATOM 0 HG LEU A 17 1.746 -7.171 6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.391 -5.327 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.787 -4.961 6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.072 -5.455 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.379 -7.681 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.057 -7.960 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.756 -9.029 5.329 1.00 0.00 H new ATOM 272 N LYS A 18 4.358 -8.928 10.312 1.00 0.00 N ATOM 273 CA LYS A 18 5.295 -9.266 11.405 1.00 0.00 C ATOM 274 C LYS A 18 5.206 -10.765 11.774 1.00 0.00 C ATOM 275 O LYS A 18 6.205 -11.384 12.164 1.00 0.00 O ATOM 276 CB LYS A 18 5.002 -8.390 12.652 1.00 0.00 C ATOM 277 CG LYS A 18 5.168 -6.872 12.417 1.00 0.00 C ATOM 278 CD LYS A 18 4.914 -6.025 13.689 1.00 0.00 C ATOM 279 CE LYS A 18 5.877 -6.374 14.841 1.00 0.00 C ATOM 280 NZ LYS A 18 7.303 -6.219 14.450 1.00 0.00 N ATOM 0 H LYS A 18 3.577 -8.344 10.612 1.00 0.00 H new ATOM 0 HA LYS A 18 6.308 -9.063 11.056 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.983 -8.585 12.987 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.667 -8.695 13.460 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.177 -6.676 12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.479 -6.555 11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.017 -4.968 13.443 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.887 -6.176 14.022 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.665 -5.732 15.696 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.700 -7.401 15.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.909 -6.365 15.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.541 -6.921 13.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.458 -5.262 14.073 1.00 0.00 H new ATOM 294 N HIS A 19 3.990 -11.333 11.650 1.00 0.00 N ATOM 295 CA HIS A 19 3.717 -12.767 11.929 1.00 0.00 C ATOM 296 C HIS A 19 3.863 -13.635 10.660 1.00 0.00 C ATOM 297 O HIS A 19 3.388 -14.782 10.642 1.00 0.00 O ATOM 298 CB HIS A 19 2.291 -12.927 12.532 1.00 0.00 C ATOM 299 CG HIS A 19 2.107 -12.333 13.912 1.00 0.00 C ATOM 300 ND1 HIS A 19 1.323 -12.912 14.888 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.587 -11.193 14.464 1.00 0.00 C ATOM 302 CE1 HIS A 19 1.330 -12.157 15.967 1.00 0.00 C ATOM 303 NE2 HIS A 19 2.091 -11.109 15.733 1.00 0.00 N ATOM 0 H HIS A 19 3.164 -10.813 11.353 1.00 0.00 H new ATOM 0 HA HIS A 19 4.457 -13.115 12.650 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.573 -12.464 11.855 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.049 -13.989 12.575 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.243 -10.480 13.987 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.802 -12.363 16.886 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.280 -10.355 16.394 1.00 0.00 H new ATOM 312 N ASP A 20 4.498 -13.065 9.600 1.00 0.00 N ATOM 313 CA ASP A 20 4.840 -13.775 8.335 1.00 0.00 C ATOM 314 C ASP A 20 3.580 -14.107 7.468 1.00 0.00 C ATOM 315 O ASP A 20 3.669 -14.723 6.399 1.00 0.00 O ATOM 316 CB ASP A 20 5.714 -15.037 8.652 1.00 0.00 C ATOM 317 CG ASP A 20 6.216 -15.818 7.421 1.00 0.00 C ATOM 318 OD1 ASP A 20 6.977 -15.242 6.613 1.00 0.00 O ATOM 319 OD2 ASP A 20 5.835 -16.997 7.242 1.00 0.00 O ATOM 0 H ASP A 20 4.790 -12.088 9.599 1.00 0.00 H new ATOM 0 HA ASP A 20 5.434 -13.102 7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.577 -14.723 9.239 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.132 -15.713 9.278 1.00 0.00 H new ATOM 324 N ASN A 21 2.415 -13.631 7.925 1.00 0.00 N ATOM 325 CA ASN A 21 1.119 -13.793 7.249 1.00 0.00 C ATOM 326 C ASN A 21 0.939 -12.692 6.182 1.00 0.00 C ATOM 327 O ASN A 21 0.028 -11.862 6.262 1.00 0.00 O ATOM 328 CB ASN A 21 -0.025 -13.733 8.308 1.00 0.00 C ATOM 329 CG ASN A 21 0.152 -14.701 9.480 1.00 0.00 C ATOM 330 OD1 ASN A 21 -0.168 -14.366 10.620 1.00 0.00 O ATOM 331 ND2 ASN A 21 0.613 -15.918 9.215 1.00 0.00 N ATOM 0 H ASN A 21 2.345 -13.109 8.798 1.00 0.00 H new ATOM 0 HA ASN A 21 1.084 -14.760 6.747 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.091 -12.717 8.698 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.973 -13.947 7.815 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.709 -16.602 9.966 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.871 -16.169 8.261 1.00 0.00 H new ATOM 338 N ALA A 22 1.835 -12.706 5.186 1.00 0.00 N ATOM 339 CA ALA A 22 1.859 -11.731 4.085 1.00 0.00 C ATOM 340 C ALA A 22 0.587 -11.828 3.225 1.00 0.00 C ATOM 341 O ALA A 22 0.026 -10.810 2.827 1.00 0.00 O ATOM 342 CB ALA A 22 3.114 -11.959 3.236 1.00 0.00 C ATOM 0 H ALA A 22 2.575 -13.405 5.121 1.00 0.00 H new ATOM 0 HA ALA A 22 1.887 -10.725 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.136 -11.238 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.001 -11.831 3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.099 -12.970 2.828 1.00 0.00 H new ATOM 348 N SER A 23 0.158 -13.074 2.961 1.00 0.00 N ATOM 349 CA SER A 23 -1.072 -13.384 2.206 1.00 0.00 C ATOM 350 C SER A 23 -2.340 -12.813 2.891 1.00 0.00 C ATOM 351 O SER A 23 -3.241 -12.300 2.211 1.00 0.00 O ATOM 352 CB SER A 23 -1.189 -14.914 2.034 1.00 0.00 C ATOM 353 OG SER A 23 -1.191 -15.579 3.294 1.00 0.00 O ATOM 0 H SER A 23 0.661 -13.906 3.269 1.00 0.00 H new ATOM 0 HA SER A 23 -1.002 -12.905 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.105 -15.152 1.494 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.358 -15.279 1.430 1.00 0.00 H new ATOM 0 HG SER A 23 -1.268 -16.546 3.153 1.00 0.00 H new ATOM 359 N ARG A 24 -2.394 -12.894 4.239 1.00 0.00 N ATOM 360 CA ARG A 24 -3.541 -12.406 5.035 1.00 0.00 C ATOM 361 C ARG A 24 -3.533 -10.869 5.113 1.00 0.00 C ATOM 362 O ARG A 24 -4.583 -10.214 5.025 1.00 0.00 O ATOM 363 CB ARG A 24 -3.486 -13.017 6.468 1.00 0.00 C ATOM 364 CG ARG A 24 -3.531 -14.563 6.507 1.00 0.00 C ATOM 365 CD ARG A 24 -4.794 -15.120 5.834 1.00 0.00 C ATOM 366 NE ARG A 24 -4.834 -16.591 5.837 1.00 0.00 N ATOM 367 CZ ARG A 24 -5.590 -17.353 5.022 1.00 0.00 C ATOM 368 NH1 ARG A 24 -6.371 -16.801 4.099 1.00 0.00 N ATOM 369 NH2 ARG A 24 -5.559 -18.669 5.148 1.00 0.00 N ATOM 0 H ARG A 24 -1.647 -13.298 4.803 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.464 -12.719 4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.573 -12.680 6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.322 -12.627 7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.648 -14.964 6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.493 -14.901 7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.675 -14.735 6.348 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.842 -14.761 4.806 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.241 -17.074 6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.404 -15.786 4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.937 -17.392 3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.966 -19.100 5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.128 -19.254 4.536 1.00 0.00 H new ATOM 383 N ALA A 25 -2.316 -10.315 5.251 1.00 0.00 N ATOM 384 CA ALA A 25 -2.070 -8.864 5.236 1.00 0.00 C ATOM 385 C ALA A 25 -2.484 -8.256 3.886 1.00 0.00 C ATOM 386 O ALA A 25 -3.055 -7.165 3.837 1.00 0.00 O ATOM 387 CB ALA A 25 -0.586 -8.586 5.498 1.00 0.00 C ATOM 0 H ALA A 25 -1.468 -10.868 5.377 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.669 -8.403 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.410 -7.510 5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.307 -8.988 6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.016 -9.061 4.723 1.00 0.00 H new ATOM 393 N LEU A 26 -2.233 -9.037 2.817 1.00 0.00 N ATOM 394 CA LEU A 26 -2.478 -8.640 1.422 1.00 0.00 C ATOM 395 C LEU A 26 -3.968 -8.354 1.215 1.00 0.00 C ATOM 396 O LEU A 26 -4.340 -7.289 0.736 1.00 0.00 O ATOM 397 CB LEU A 26 -1.992 -9.761 0.460 1.00 0.00 C ATOM 398 CG LEU A 26 -2.025 -9.439 -1.062 1.00 0.00 C ATOM 399 CD1 LEU A 26 -1.070 -8.286 -1.429 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.716 -10.700 -1.897 1.00 0.00 C ATOM 0 H LEU A 26 -1.848 -9.977 2.903 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.919 -7.730 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.969 -10.021 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.603 -10.647 0.634 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.035 -9.108 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.125 -8.095 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.359 -7.387 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.049 -8.560 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.745 -10.450 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.725 -11.073 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.460 -11.468 -1.685 1.00 0.00 H new ATOM 412 N ALA A 27 -4.793 -9.327 1.639 1.00 0.00 N ATOM 413 CA ALA A 27 -6.263 -9.246 1.585 1.00 0.00 C ATOM 414 C ALA A 27 -6.818 -8.023 2.347 1.00 0.00 C ATOM 415 O ALA A 27 -7.734 -7.358 1.855 1.00 0.00 O ATOM 416 CB ALA A 27 -6.871 -10.540 2.135 1.00 0.00 C ATOM 0 H ALA A 27 -4.453 -10.204 2.034 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.547 -9.119 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.958 -10.477 2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.533 -11.385 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.555 -10.680 3.169 1.00 0.00 H new ATOM 422 N LEU A 28 -6.255 -7.742 3.543 1.00 0.00 N ATOM 423 CA LEU A 28 -6.661 -6.571 4.361 1.00 0.00 C ATOM 424 C LEU A 28 -6.313 -5.229 3.680 1.00 0.00 C ATOM 425 O LEU A 28 -7.106 -4.283 3.745 1.00 0.00 O ATOM 426 CB LEU A 28 -6.026 -6.632 5.776 1.00 0.00 C ATOM 427 CG LEU A 28 -6.492 -7.807 6.692 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.762 -7.769 8.050 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.029 -7.804 6.880 1.00 0.00 C ATOM 0 H LEU A 28 -5.519 -8.308 3.965 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.746 -6.620 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.944 -6.694 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.239 -5.694 6.288 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.228 -8.740 6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.104 -8.598 8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.688 -7.856 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.978 -6.826 8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.319 -8.635 7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.337 -6.865 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.514 -7.910 5.910 1.00 0.00 H new ATOM 441 N PHE A 29 -5.129 -5.155 3.036 1.00 0.00 N ATOM 442 CA PHE A 29 -4.693 -3.949 2.303 1.00 0.00 C ATOM 443 C PHE A 29 -5.563 -3.731 1.043 1.00 0.00 C ATOM 444 O PHE A 29 -5.951 -2.606 0.736 1.00 0.00 O ATOM 445 CB PHE A 29 -3.194 -4.027 1.909 1.00 0.00 C ATOM 446 CG PHE A 29 -2.176 -3.911 3.051 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.238 -2.856 3.959 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.147 -4.843 3.198 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.312 -2.745 4.981 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.219 -4.729 4.220 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.303 -3.679 5.111 1.00 0.00 C ATOM 0 H PHE A 29 -4.456 -5.921 3.009 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.820 -3.099 2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.025 -4.975 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.990 -3.235 1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.019 -2.116 3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.073 -5.667 2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.379 -1.924 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.569 -5.461 4.319 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.419 -3.588 5.909 1.00 0.00 H new ATOM 461 N GLU A 30 -5.862 -4.817 0.319 1.00 0.00 N ATOM 462 CA GLU A 30 -6.777 -4.788 -0.846 1.00 0.00 C ATOM 463 C GLU A 30 -8.206 -4.378 -0.431 1.00 0.00 C ATOM 464 O GLU A 30 -8.901 -3.689 -1.189 1.00 0.00 O ATOM 465 CB GLU A 30 -6.805 -6.160 -1.553 1.00 0.00 C ATOM 466 CG GLU A 30 -5.460 -6.601 -2.162 1.00 0.00 C ATOM 467 CD GLU A 30 -5.565 -7.942 -2.901 1.00 0.00 C ATOM 468 OE1 GLU A 30 -6.080 -7.961 -4.042 1.00 0.00 O ATOM 469 OE2 GLU A 30 -5.173 -8.986 -2.342 1.00 0.00 O ATOM 0 H GLU A 30 -5.481 -5.742 0.518 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.397 -4.040 -1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.129 -6.915 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.554 -6.130 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.108 -5.835 -2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.715 -6.683 -1.371 1.00 0.00 H new ATOM 476 N GLU A 31 -8.615 -4.797 0.791 1.00 0.00 N ATOM 477 CA GLU A 31 -9.919 -4.444 1.389 1.00 0.00 C ATOM 478 C GLU A 31 -9.980 -2.923 1.611 1.00 0.00 C ATOM 479 O GLU A 31 -11.002 -2.277 1.358 1.00 0.00 O ATOM 480 CB GLU A 31 -10.107 -5.194 2.742 1.00 0.00 C ATOM 481 CG GLU A 31 -11.470 -4.979 3.433 1.00 0.00 C ATOM 482 CD GLU A 31 -12.650 -5.573 2.643 1.00 0.00 C ATOM 483 OE1 GLU A 31 -12.854 -6.798 2.706 1.00 0.00 O ATOM 484 OE2 GLU A 31 -13.361 -4.829 1.945 1.00 0.00 O ATOM 0 H GLU A 31 -8.044 -5.393 1.390 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.721 -4.742 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.971 -6.261 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.318 -4.879 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.442 -5.429 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.635 -3.911 3.572 1.00 0.00 H new ATOM 491 N LEU A 32 -8.845 -2.377 2.086 1.00 0.00 N ATOM 492 CA LEU A 32 -8.657 -0.937 2.313 1.00 0.00 C ATOM 493 C LEU A 32 -8.853 -0.146 1.017 1.00 0.00 C ATOM 494 O LEU A 32 -9.537 0.856 1.023 1.00 0.00 O ATOM 495 CB LEU A 32 -7.252 -0.654 2.898 1.00 0.00 C ATOM 496 CG LEU A 32 -6.991 -1.122 4.358 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.489 -1.064 4.719 1.00 0.00 C ATOM 498 CD2 LEU A 32 -7.816 -0.289 5.341 1.00 0.00 C ATOM 0 H LEU A 32 -8.024 -2.933 2.325 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.409 -0.614 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.514 -1.129 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.074 0.420 2.849 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.303 -2.164 4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.349 -1.399 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.928 -1.713 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.130 -0.040 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.622 -0.629 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.538 0.761 5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.876 -0.405 5.116 1.00 0.00 H new ATOM 510 N VAL A 33 -8.243 -0.613 -0.084 1.00 0.00 N ATOM 511 CA VAL A 33 -8.352 0.041 -1.406 1.00 0.00 C ATOM 512 C VAL A 33 -9.815 0.098 -1.902 1.00 0.00 C ATOM 513 O VAL A 33 -10.346 1.184 -2.164 1.00 0.00 O ATOM 514 CB VAL A 33 -7.455 -0.692 -2.476 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.590 -0.065 -3.889 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.981 -0.711 -2.027 1.00 0.00 C ATOM 0 H VAL A 33 -7.662 -1.451 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.995 1.063 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.815 -1.718 -2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.953 -0.605 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.627 -0.129 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.285 0.981 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.378 -1.221 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.624 0.312 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.897 -1.237 -1.076 1.00 0.00 H new ATOM 526 N GLU A 34 -10.450 -1.080 -2.019 1.00 0.00 N ATOM 527 CA GLU A 34 -11.785 -1.222 -2.638 1.00 0.00 C ATOM 528 C GLU A 34 -12.891 -0.420 -1.913 1.00 0.00 C ATOM 529 O GLU A 34 -13.775 0.149 -2.566 1.00 0.00 O ATOM 530 CB GLU A 34 -12.168 -2.717 -2.749 1.00 0.00 C ATOM 531 CG GLU A 34 -12.233 -3.486 -1.412 1.00 0.00 C ATOM 532 CD GLU A 34 -12.397 -5.002 -1.593 1.00 0.00 C ATOM 533 OE1 GLU A 34 -13.545 -5.482 -1.680 1.00 0.00 O ATOM 534 OE2 GLU A 34 -11.373 -5.720 -1.683 1.00 0.00 O ATOM 0 H GLU A 34 -10.056 -1.961 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.712 -0.792 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.139 -2.790 -3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.446 -3.212 -3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.324 -3.291 -0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.066 -3.105 -0.821 1.00 0.00 H new ATOM 541 N THR A 35 -12.849 -0.376 -0.568 1.00 0.00 N ATOM 542 CA THR A 35 -13.882 0.316 0.237 1.00 0.00 C ATOM 543 C THR A 35 -13.469 1.761 0.580 1.00 0.00 C ATOM 544 O THR A 35 -14.327 2.644 0.694 1.00 0.00 O ATOM 545 CB THR A 35 -14.174 -0.468 1.556 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.990 -0.544 2.348 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.672 -1.893 1.275 1.00 0.00 C ATOM 0 H THR A 35 -12.112 -0.811 -0.013 1.00 0.00 H new ATOM 0 HA THR A 35 -14.786 0.353 -0.371 1.00 0.00 H new ATOM 0 HB THR A 35 -14.956 0.073 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.358 -1.167 1.932 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.863 -2.404 2.218 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.593 -1.849 0.693 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.914 -2.439 0.714 1.00 0.00 H new ATOM 555 N ASP A 36 -12.147 1.989 0.742 1.00 0.00 N ATOM 556 CA ASP A 36 -11.576 3.283 1.196 1.00 0.00 C ATOM 557 C ASP A 36 -10.435 3.693 0.232 1.00 0.00 C ATOM 558 O ASP A 36 -9.252 3.657 0.603 1.00 0.00 O ATOM 559 CB ASP A 36 -11.046 3.181 2.666 1.00 0.00 C ATOM 560 CG ASP A 36 -12.123 2.750 3.670 1.00 0.00 C ATOM 561 OD1 ASP A 36 -12.967 3.590 4.033 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.140 1.571 4.098 1.00 0.00 O ATOM 0 H ASP A 36 -11.439 1.278 0.561 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.357 4.043 1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.222 2.468 2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.644 4.148 2.968 1.00 0.00 H new ATOM 567 N PRO A 37 -10.770 4.100 -1.037 1.00 0.00 N ATOM 568 CA PRO A 37 -9.750 4.390 -2.075 1.00 0.00 C ATOM 569 C PRO A 37 -8.957 5.694 -1.821 1.00 0.00 C ATOM 570 O PRO A 37 -8.077 6.037 -2.609 1.00 0.00 O ATOM 571 CB PRO A 37 -10.589 4.478 -3.377 1.00 0.00 C ATOM 572 CG PRO A 37 -11.934 4.951 -2.918 1.00 0.00 C ATOM 573 CD PRO A 37 -12.151 4.314 -1.561 1.00 0.00 C ATOM 0 HA PRO A 37 -8.973 3.626 -2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.145 5.172 -4.090 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.656 3.510 -3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.964 6.038 -2.849 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.714 4.654 -3.619 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.731 4.962 -0.904 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.696 3.374 -1.644 1.00 0.00 H new ATOM 581 N ASP A 38 -9.276 6.398 -0.720 1.00 0.00 N ATOM 582 CA ASP A 38 -8.628 7.670 -0.345 1.00 0.00 C ATOM 583 C ASP A 38 -7.539 7.450 0.724 1.00 0.00 C ATOM 584 O ASP A 38 -6.686 8.324 0.938 1.00 0.00 O ATOM 585 CB ASP A 38 -9.699 8.671 0.165 1.00 0.00 C ATOM 586 CG ASP A 38 -10.727 9.044 -0.917 1.00 0.00 C ATOM 587 OD1 ASP A 38 -10.474 9.989 -1.690 1.00 0.00 O ATOM 588 OD2 ASP A 38 -11.778 8.374 -1.023 1.00 0.00 O ATOM 0 H ASP A 38 -9.995 6.099 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.142 8.084 -1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.218 8.237 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.205 9.576 0.518 1.00 0.00 H new ATOM 593 N TYR A 39 -7.591 6.283 1.405 1.00 0.00 N ATOM 594 CA TYR A 39 -6.640 5.930 2.470 1.00 0.00 C ATOM 595 C TYR A 39 -5.244 5.631 1.866 1.00 0.00 C ATOM 596 O TYR A 39 -4.998 4.550 1.320 1.00 0.00 O ATOM 597 CB TYR A 39 -7.195 4.740 3.312 1.00 0.00 C ATOM 598 CG TYR A 39 -6.468 4.497 4.648 1.00 0.00 C ATOM 599 CD1 TYR A 39 -6.044 5.565 5.448 1.00 0.00 C ATOM 600 CD2 TYR A 39 -6.231 3.207 5.120 1.00 0.00 C ATOM 601 CE1 TYR A 39 -5.407 5.350 6.649 1.00 0.00 C ATOM 602 CE2 TYR A 39 -5.595 2.991 6.325 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.183 4.064 7.084 1.00 0.00 C ATOM 604 OH TYR A 39 -4.554 3.858 8.287 1.00 0.00 O ATOM 0 H TYR A 39 -8.293 5.565 1.228 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.520 6.775 3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.250 4.920 3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.137 3.831 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.220 6.578 5.116 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.551 2.360 4.531 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.084 6.188 7.248 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.421 1.983 6.672 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.965 3.078 8.219 1.00 0.00 H new ATOM 614 N VAL A 40 -4.355 6.637 1.973 1.00 0.00 N ATOM 615 CA VAL A 40 -3.035 6.649 1.313 1.00 0.00 C ATOM 616 C VAL A 40 -2.068 5.621 1.934 1.00 0.00 C ATOM 617 O VAL A 40 -1.284 4.980 1.214 1.00 0.00 O ATOM 618 CB VAL A 40 -2.379 8.075 1.381 1.00 0.00 C ATOM 619 CG1 VAL A 40 -1.113 8.137 0.510 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.378 9.185 0.987 1.00 0.00 C ATOM 0 H VAL A 40 -4.535 7.474 2.527 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.210 6.378 0.272 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.090 8.253 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.676 9.134 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.391 7.402 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.373 7.920 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.886 10.156 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.726 9.017 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.229 9.167 1.668 1.00 0.00 H new ATOM 630 N GLY A 41 -2.163 5.456 3.271 1.00 0.00 N ATOM 631 CA GLY A 41 -1.254 4.588 4.036 1.00 0.00 C ATOM 632 C GLY A 41 -1.272 3.137 3.562 1.00 0.00 C ATOM 633 O GLY A 41 -0.267 2.421 3.672 1.00 0.00 O ATOM 0 H GLY A 41 -2.869 5.919 3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.239 4.977 3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.529 4.623 5.090 1.00 0.00 H new ATOM 637 N THR A 42 -2.429 2.732 3.023 1.00 0.00 N ATOM 638 CA THR A 42 -2.624 1.442 2.368 1.00 0.00 C ATOM 639 C THR A 42 -1.634 1.238 1.214 1.00 0.00 C ATOM 640 O THR A 42 -0.847 0.294 1.226 1.00 0.00 O ATOM 641 CB THR A 42 -4.063 1.364 1.787 1.00 0.00 C ATOM 642 OG1 THR A 42 -5.013 1.598 2.827 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.327 0.014 1.108 1.00 0.00 C ATOM 0 H THR A 42 -3.271 3.308 3.033 1.00 0.00 H new ATOM 0 HA THR A 42 -2.461 0.667 3.117 1.00 0.00 H new ATOM 0 HB THR A 42 -4.166 2.135 1.023 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.050 2.557 3.026 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.343 -0.003 0.714 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.619 -0.127 0.291 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.207 -0.789 1.835 1.00 0.00 H new ATOM 651 N TYR A 43 -1.681 2.181 0.261 1.00 0.00 N ATOM 652 CA TYR A 43 -1.072 2.044 -1.066 1.00 0.00 C ATOM 653 C TYR A 43 0.442 1.825 -1.011 1.00 0.00 C ATOM 654 O TYR A 43 0.990 1.062 -1.819 1.00 0.00 O ATOM 655 CB TYR A 43 -1.426 3.269 -1.930 1.00 0.00 C ATOM 656 CG TYR A 43 -2.915 3.334 -2.303 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.441 2.442 -3.235 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.790 4.254 -1.718 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.770 2.471 -3.577 1.00 0.00 C ATOM 660 CE2 TYR A 43 -5.125 4.280 -2.062 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.604 3.385 -2.990 1.00 0.00 C ATOM 662 OH TYR A 43 -6.927 3.408 -3.340 1.00 0.00 O ATOM 0 H TYR A 43 -2.152 3.075 0.396 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.486 1.146 -1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.152 4.177 -1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.830 3.247 -2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.791 1.714 -3.697 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.415 4.954 -0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.157 1.775 -4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.790 4.998 -1.606 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.284 4.311 -3.210 1.00 0.00 H new ATOM 672 N TYR A 44 1.116 2.516 -0.080 1.00 0.00 N ATOM 673 CA TYR A 44 2.537 2.288 0.192 1.00 0.00 C ATOM 674 C TYR A 44 2.798 0.816 0.573 1.00 0.00 C ATOM 675 O TYR A 44 3.401 0.080 -0.199 1.00 0.00 O ATOM 676 CB TYR A 44 3.027 3.257 1.303 1.00 0.00 C ATOM 677 CG TYR A 44 4.555 3.267 1.484 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.377 3.907 0.551 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.169 2.631 2.566 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.748 3.912 0.699 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.540 2.635 2.713 1.00 0.00 C ATOM 682 CZ TYR A 44 7.323 3.277 1.779 1.00 0.00 C ATOM 683 OH TYR A 44 8.698 3.290 1.931 1.00 0.00 O ATOM 0 H TYR A 44 0.693 3.242 0.499 1.00 0.00 H new ATOM 0 HA TYR A 44 3.105 2.492 -0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.691 4.267 1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.560 2.979 2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.932 4.405 -0.298 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.559 2.127 3.301 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.369 4.412 -0.029 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.997 2.138 3.556 1.00 0.00 H new ATOM 0 HH TYR A 44 8.942 2.799 2.743 1.00 0.00 H new ATOM 693 N HIS A 45 2.242 0.395 1.720 1.00 0.00 N ATOM 694 CA HIS A 45 2.495 -0.943 2.319 1.00 0.00 C ATOM 695 C HIS A 45 2.005 -2.107 1.430 1.00 0.00 C ATOM 696 O HIS A 45 2.608 -3.182 1.430 1.00 0.00 O ATOM 697 CB HIS A 45 1.852 -1.033 3.726 1.00 0.00 C ATOM 698 CG HIS A 45 2.465 -0.095 4.726 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.196 -0.522 5.808 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.466 1.252 4.787 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.615 0.520 6.492 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.187 1.608 5.891 1.00 0.00 N ATOM 0 H HIS A 45 1.600 0.969 2.267 1.00 0.00 H new ATOM 0 HA HIS A 45 3.577 -1.048 2.403 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.786 -0.818 3.644 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.944 -2.055 4.094 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.986 1.925 4.092 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.209 0.488 7.393 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.365 2.564 6.199 1.00 0.00 H new ATOM 711 N LEU A 46 0.932 -1.867 0.664 1.00 0.00 N ATOM 712 CA LEU A 46 0.354 -2.866 -0.259 1.00 0.00 C ATOM 713 C LEU A 46 1.273 -3.054 -1.476 1.00 0.00 C ATOM 714 O LEU A 46 1.490 -4.183 -1.928 1.00 0.00 O ATOM 715 CB LEU A 46 -1.074 -2.444 -0.707 1.00 0.00 C ATOM 716 CG LEU A 46 -1.777 -3.371 -1.762 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.884 -4.836 -1.286 1.00 0.00 C ATOM 718 CD2 LEU A 46 -3.160 -2.821 -2.154 1.00 0.00 C ATOM 0 H LEU A 46 0.437 -0.975 0.663 1.00 0.00 H new ATOM 0 HA LEU A 46 0.272 -3.818 0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.708 -2.391 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.019 -1.437 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.142 -3.370 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.378 -5.433 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.885 -5.233 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.465 -4.878 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.621 -3.484 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.792 -2.762 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.047 -1.827 -2.586 1.00 0.00 H new ATOM 730 N GLY A 47 1.809 -1.933 -1.987 1.00 0.00 N ATOM 731 CA GLY A 47 2.742 -1.959 -3.108 1.00 0.00 C ATOM 732 C GLY A 47 4.065 -2.602 -2.723 1.00 0.00 C ATOM 733 O GLY A 47 4.619 -3.404 -3.485 1.00 0.00 O ATOM 0 H GLY A 47 1.606 -0.998 -1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.298 -2.508 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.920 -0.942 -3.457 1.00 0.00 H new ATOM 737 N LYS A 48 4.559 -2.256 -1.515 1.00 0.00 N ATOM 738 CA LYS A 48 5.799 -2.825 -0.948 1.00 0.00 C ATOM 739 C LYS A 48 5.662 -4.351 -0.827 1.00 0.00 C ATOM 740 O LYS A 48 6.607 -5.097 -1.096 1.00 0.00 O ATOM 741 CB LYS A 48 6.115 -2.213 0.453 1.00 0.00 C ATOM 742 CG LYS A 48 6.347 -0.677 0.505 1.00 0.00 C ATOM 743 CD LYS A 48 7.499 -0.139 -0.390 1.00 0.00 C ATOM 744 CE LYS A 48 8.915 -0.577 0.048 1.00 0.00 C ATOM 745 NZ LYS A 48 9.177 -2.015 -0.209 1.00 0.00 N ATOM 0 H LYS A 48 4.108 -1.574 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 48 6.622 -2.580 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.292 -2.456 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.004 -2.705 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.422 -0.178 0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.551 -0.394 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.331 -0.472 -1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.456 0.950 -0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.656 0.023 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.041 -0.374 1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.174 -2.144 -0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.974 -2.564 0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.567 -2.346 -0.983 1.00 0.00 H new ATOM 759 N LEU A 49 4.454 -4.783 -0.425 1.00 0.00 N ATOM 760 CA LEU A 49 4.101 -6.200 -0.270 1.00 0.00 C ATOM 761 C LEU A 49 4.067 -6.919 -1.632 1.00 0.00 C ATOM 762 O LEU A 49 4.532 -8.057 -1.741 1.00 0.00 O ATOM 763 CB LEU A 49 2.749 -6.311 0.486 1.00 0.00 C ATOM 764 CG LEU A 49 2.202 -7.748 0.788 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.275 -8.664 1.414 1.00 0.00 C ATOM 766 CD2 LEU A 49 0.950 -7.667 1.693 1.00 0.00 C ATOM 0 H LEU A 49 3.689 -4.149 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 49 4.867 -6.701 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.850 -5.784 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.995 -5.780 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 49 1.921 -8.197 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.847 -9.648 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.116 -8.761 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.621 -8.231 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.581 -8.673 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.211 -7.181 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.174 -7.090 1.190 1.00 0.00 H new ATOM 778 N TYR A 50 3.526 -6.242 -2.665 1.00 0.00 N ATOM 779 CA TYR A 50 3.548 -6.746 -4.052 1.00 0.00 C ATOM 780 C TYR A 50 4.988 -7.005 -4.540 1.00 0.00 C ATOM 781 O TYR A 50 5.249 -8.040 -5.146 1.00 0.00 O ATOM 782 CB TYR A 50 2.807 -5.782 -5.027 1.00 0.00 C ATOM 783 CG TYR A 50 1.276 -5.858 -4.965 1.00 0.00 C ATOM 784 CD1 TYR A 50 0.626 -7.095 -4.930 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.480 -4.708 -4.948 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.746 -7.180 -4.879 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.896 -4.796 -4.897 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.503 -6.033 -4.859 1.00 0.00 C ATOM 789 OH TYR A 50 -2.873 -6.127 -4.798 1.00 0.00 O ATOM 0 H TYR A 50 3.065 -5.338 -2.562 1.00 0.00 H new ATOM 0 HA TYR A 50 3.016 -7.697 -4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.115 -4.759 -4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.127 -6.001 -6.046 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.212 -8.002 -4.943 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.950 -3.736 -4.975 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.228 -8.146 -4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.496 -3.898 -4.887 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.263 -5.228 -4.790 1.00 0.00 H new ATOM 799 N GLU A 51 5.921 -6.082 -4.235 1.00 0.00 N ATOM 800 CA GLU A 51 7.352 -6.232 -4.618 1.00 0.00 C ATOM 801 C GLU A 51 7.971 -7.511 -4.002 1.00 0.00 C ATOM 802 O GLU A 51 8.792 -8.180 -4.642 1.00 0.00 O ATOM 803 CB GLU A 51 8.182 -5.010 -4.168 1.00 0.00 C ATOM 804 CG GLU A 51 7.719 -3.659 -4.723 1.00 0.00 C ATOM 805 CD GLU A 51 8.670 -2.522 -4.332 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.656 -2.094 -3.153 1.00 0.00 O ATOM 807 OE2 GLU A 51 9.477 -2.082 -5.174 1.00 0.00 O ATOM 0 H GLU A 51 5.716 -5.223 -3.725 1.00 0.00 H new ATOM 0 HA GLU A 51 7.379 -6.308 -5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.164 -4.961 -3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.219 -5.168 -4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.651 -3.717 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.718 -3.438 -4.352 1.00 0.00 H new ATOM 814 N ARG A 52 7.550 -7.830 -2.754 1.00 0.00 N ATOM 815 CA ARG A 52 7.976 -9.052 -2.026 1.00 0.00 C ATOM 816 C ARG A 52 7.527 -10.322 -2.784 1.00 0.00 C ATOM 817 O ARG A 52 8.269 -11.301 -2.873 1.00 0.00 O ATOM 818 CB ARG A 52 7.388 -9.082 -0.582 1.00 0.00 C ATOM 819 CG ARG A 52 7.672 -7.822 0.267 1.00 0.00 C ATOM 820 CD ARG A 52 6.989 -7.873 1.650 1.00 0.00 C ATOM 821 NE ARG A 52 6.999 -6.567 2.328 1.00 0.00 N ATOM 822 CZ ARG A 52 6.738 -6.363 3.628 1.00 0.00 C ATOM 823 NH1 ARG A 52 6.371 -7.352 4.427 1.00 0.00 N ATOM 824 NH2 ARG A 52 6.840 -5.145 4.115 1.00 0.00 N ATOM 0 H ARG A 52 6.904 -7.246 -2.222 1.00 0.00 H new ATOM 0 HA ARG A 52 9.064 -9.032 -1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.309 -9.221 -0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.790 -9.951 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.748 -7.714 0.401 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.327 -6.940 -0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.959 -8.210 1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.495 -8.608 2.276 1.00 0.00 H new ATOM 0 HE ARG A 52 7.223 -5.748 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.280 -8.299 4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.179 -7.168 5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.114 -4.374 3.506 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.645 -4.972 5.101 1.00 0.00 H new ATOM 838 N LEU A 53 6.312 -10.253 -3.360 1.00 0.00 N ATOM 839 CA LEU A 53 5.681 -11.365 -4.109 1.00 0.00 C ATOM 840 C LEU A 53 6.141 -11.405 -5.594 1.00 0.00 C ATOM 841 O LEU A 53 5.587 -12.178 -6.391 1.00 0.00 O ATOM 842 CB LEU A 53 4.136 -11.194 -4.031 1.00 0.00 C ATOM 843 CG LEU A 53 3.526 -11.006 -2.602 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.011 -10.716 -2.673 1.00 0.00 C ATOM 845 CD2 LEU A 53 3.834 -12.216 -1.692 1.00 0.00 C ATOM 0 H LEU A 53 5.731 -9.415 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 53 5.987 -12.309 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.857 -10.332 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.672 -12.068 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 53 4.003 -10.135 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.617 -10.590 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.842 -9.804 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.504 -11.549 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.396 -12.052 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.411 -13.119 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.913 -12.332 -1.594 1.00 0.00 H new ATOM 857 N ASP A 54 7.157 -10.572 -5.940 1.00 0.00 N ATOM 858 CA ASP A 54 7.665 -10.360 -7.331 1.00 0.00 C ATOM 859 C ASP A 54 6.559 -9.789 -8.275 1.00 0.00 C ATOM 860 O ASP A 54 6.675 -9.803 -9.506 1.00 0.00 O ATOM 861 CB ASP A 54 8.325 -11.667 -7.886 1.00 0.00 C ATOM 862 CG ASP A 54 9.183 -11.455 -9.158 1.00 0.00 C ATOM 863 OD1 ASP A 54 10.244 -10.799 -9.067 1.00 0.00 O ATOM 864 OD2 ASP A 54 8.800 -11.934 -10.252 1.00 0.00 O ATOM 0 H ASP A 54 7.660 -10.015 -5.249 1.00 0.00 H new ATOM 0 HA ASP A 54 8.445 -9.599 -7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.951 -12.103 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.541 -12.391 -8.107 1.00 0.00 H new ATOM 869 N ARG A 55 5.507 -9.219 -7.658 1.00 0.00 N ATOM 870 CA ARG A 55 4.402 -8.534 -8.349 1.00 0.00 C ATOM 871 C ARG A 55 4.750 -7.032 -8.461 1.00 0.00 C ATOM 872 O ARG A 55 3.945 -6.163 -8.118 1.00 0.00 O ATOM 873 CB ARG A 55 3.062 -8.735 -7.560 1.00 0.00 C ATOM 874 CG ARG A 55 2.656 -10.199 -7.280 1.00 0.00 C ATOM 875 CD ARG A 55 2.612 -11.069 -8.545 1.00 0.00 C ATOM 876 NE ARG A 55 1.770 -10.489 -9.598 1.00 0.00 N ATOM 877 CZ ARG A 55 1.604 -11.003 -10.824 1.00 0.00 C ATOM 878 NH1 ARG A 55 2.133 -12.181 -11.159 1.00 0.00 N ATOM 879 NH2 ARG A 55 0.895 -10.331 -11.710 1.00 0.00 N ATOM 0 H ARG A 55 5.401 -9.223 -6.644 1.00 0.00 H new ATOM 0 HA ARG A 55 4.268 -8.953 -9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.142 -8.212 -6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.258 -8.256 -8.119 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.360 -10.635 -6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.676 -10.212 -6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.625 -11.202 -8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.236 -12.059 -8.288 1.00 0.00 H new ATOM 0 HE ARG A 55 1.272 -9.626 -9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.676 -12.709 -10.476 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.994 -12.554 -12.098 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.482 -9.433 -11.458 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.760 -10.709 -12.648 1.00 0.00 H new ATOM 893 N THR A 56 5.965 -6.763 -8.971 1.00 0.00 N ATOM 894 CA THR A 56 6.540 -5.409 -9.057 1.00 0.00 C ATOM 895 C THR A 56 5.676 -4.483 -9.953 1.00 0.00 C ATOM 896 O THR A 56 5.560 -3.292 -9.687 1.00 0.00 O ATOM 897 CB THR A 56 8.007 -5.487 -9.599 1.00 0.00 C ATOM 898 OG1 THR A 56 8.770 -6.426 -8.816 1.00 0.00 O ATOM 899 CG2 THR A 56 8.709 -4.118 -9.585 1.00 0.00 C ATOM 0 H THR A 56 6.582 -7.487 -9.339 1.00 0.00 H new ATOM 0 HA THR A 56 6.552 -4.979 -8.056 1.00 0.00 H new ATOM 0 HB THR A 56 7.951 -5.819 -10.636 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.686 -6.471 -9.161 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.723 -4.225 -9.970 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.155 -3.419 -10.211 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.747 -3.739 -8.564 1.00 0.00 H new ATOM 907 N ASP A 57 5.037 -5.072 -10.975 1.00 0.00 N ATOM 908 CA ASP A 57 4.102 -4.367 -11.877 1.00 0.00 C ATOM 909 C ASP A 57 2.854 -3.887 -11.104 1.00 0.00 C ATOM 910 O ASP A 57 2.439 -2.730 -11.234 1.00 0.00 O ATOM 911 CB ASP A 57 3.685 -5.312 -13.033 1.00 0.00 C ATOM 912 CG ASP A 57 2.599 -4.742 -13.977 1.00 0.00 C ATOM 913 OD1 ASP A 57 2.768 -3.621 -14.495 1.00 0.00 O ATOM 914 OD2 ASP A 57 1.581 -5.422 -14.224 1.00 0.00 O ATOM 0 H ASP A 57 5.153 -6.059 -11.204 1.00 0.00 H new ATOM 0 HA ASP A 57 4.604 -3.491 -12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.569 -5.554 -13.623 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.321 -6.247 -12.606 1.00 0.00 H new ATOM 919 N ASP A 58 2.287 -4.793 -10.289 1.00 0.00 N ATOM 920 CA ASP A 58 1.108 -4.496 -9.440 1.00 0.00 C ATOM 921 C ASP A 58 1.456 -3.430 -8.397 1.00 0.00 C ATOM 922 O ASP A 58 0.613 -2.615 -8.029 1.00 0.00 O ATOM 923 CB ASP A 58 0.609 -5.781 -8.740 1.00 0.00 C ATOM 924 CG ASP A 58 0.179 -6.851 -9.744 1.00 0.00 C ATOM 925 OD1 ASP A 58 -1.001 -6.857 -10.151 1.00 0.00 O ATOM 926 OD2 ASP A 58 1.028 -7.663 -10.166 1.00 0.00 O ATOM 0 H ASP A 58 2.628 -5.750 -10.196 1.00 0.00 H new ATOM 0 HA ASP A 58 0.312 -4.114 -10.079 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.400 -6.178 -8.104 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.230 -5.536 -8.089 1.00 0.00 H new ATOM 931 N ALA A 59 2.730 -3.457 -7.946 1.00 0.00 N ATOM 932 CA ALA A 59 3.290 -2.452 -7.033 1.00 0.00 C ATOM 933 C ALA A 59 3.255 -1.056 -7.682 1.00 0.00 C ATOM 934 O ALA A 59 2.730 -0.122 -7.082 1.00 0.00 O ATOM 935 CB ALA A 59 4.726 -2.833 -6.621 1.00 0.00 C ATOM 0 H ALA A 59 3.397 -4.182 -8.210 1.00 0.00 H new ATOM 0 HA ALA A 59 2.677 -2.423 -6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.123 -2.076 -5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.716 -3.800 -6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.356 -2.893 -7.509 1.00 0.00 H new ATOM 941 N ILE A 60 3.776 -0.957 -8.937 1.00 0.00 N ATOM 942 CA ILE A 60 3.824 0.312 -9.723 1.00 0.00 C ATOM 943 C ILE A 60 2.426 0.958 -9.810 1.00 0.00 C ATOM 944 O ILE A 60 2.272 2.170 -9.608 1.00 0.00 O ATOM 945 CB ILE A 60 4.370 0.078 -11.197 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.805 -0.545 -11.183 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.349 1.381 -12.037 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.848 0.291 -10.474 1.00 0.00 C ATOM 0 H ILE A 60 4.175 -1.754 -9.433 1.00 0.00 H new ATOM 0 HA ILE A 60 4.508 0.977 -9.196 1.00 0.00 H new ATOM 0 HB ILE A 60 3.695 -0.633 -11.673 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.757 -1.524 -10.706 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.126 -0.707 -12.212 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.730 1.175 -13.037 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.326 1.752 -12.108 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.975 2.133 -11.557 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.811 -0.218 -10.514 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.930 1.262 -10.963 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.555 0.432 -9.434 1.00 0.00 H new ATOM 960 N ASP A 61 1.428 0.103 -10.088 1.00 0.00 N ATOM 961 CA ASP A 61 0.018 0.508 -10.182 1.00 0.00 C ATOM 962 C ASP A 61 -0.480 1.077 -8.838 1.00 0.00 C ATOM 963 O ASP A 61 -1.067 2.155 -8.803 1.00 0.00 O ATOM 964 CB ASP A 61 -0.864 -0.693 -10.607 1.00 0.00 C ATOM 965 CG ASP A 61 -2.363 -0.337 -10.689 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.809 0.170 -11.743 1.00 0.00 O ATOM 967 OD2 ASP A 61 -3.097 -0.555 -9.701 1.00 0.00 O ATOM 0 H ASP A 61 1.578 -0.892 -10.254 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.059 1.288 -10.939 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.529 -1.058 -11.578 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.727 -1.507 -9.896 1.00 0.00 H new ATOM 972 N THR A 62 -0.222 0.328 -7.753 1.00 0.00 N ATOM 973 CA THR A 62 -0.680 0.666 -6.391 1.00 0.00 C ATOM 974 C THR A 62 -0.032 1.976 -5.877 1.00 0.00 C ATOM 975 O THR A 62 -0.663 2.743 -5.137 1.00 0.00 O ATOM 976 CB THR A 62 -0.388 -0.523 -5.418 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.995 -1.717 -5.939 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.929 -0.277 -4.004 1.00 0.00 C ATOM 0 H THR A 62 0.315 -0.538 -7.795 1.00 0.00 H new ATOM 0 HA THR A 62 -1.756 0.835 -6.428 1.00 0.00 H new ATOM 0 HB THR A 62 0.695 -0.624 -5.347 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.464 -2.053 -6.691 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.698 -1.134 -3.372 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.465 0.617 -3.587 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.009 -0.139 -4.047 1.00 0.00 H new ATOM 986 N TYR A 63 1.219 2.239 -6.301 1.00 0.00 N ATOM 987 CA TYR A 63 1.935 3.482 -5.962 1.00 0.00 C ATOM 988 C TYR A 63 1.328 4.667 -6.725 1.00 0.00 C ATOM 989 O TYR A 63 1.165 5.737 -6.157 1.00 0.00 O ATOM 990 CB TYR A 63 3.445 3.380 -6.275 1.00 0.00 C ATOM 991 CG TYR A 63 4.203 2.322 -5.461 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.996 2.175 -4.088 1.00 0.00 C ATOM 993 CD2 TYR A 63 5.132 1.475 -6.068 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.678 1.223 -3.366 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.816 0.528 -5.350 1.00 0.00 C ATOM 996 CZ TYR A 63 5.585 0.406 -4.005 1.00 0.00 C ATOM 997 OH TYR A 63 6.270 -0.527 -3.290 1.00 0.00 O ATOM 0 H TYR A 63 1.758 1.599 -6.885 1.00 0.00 H new ATOM 0 HA TYR A 63 1.825 3.640 -4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.567 3.158 -7.335 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.905 4.352 -6.097 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.290 2.819 -3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.316 1.568 -7.128 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.504 1.117 -2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.531 -0.116 -5.840 1.00 0.00 H new ATOM 0 HH TYR A 63 6.241 -1.386 -3.761 1.00 0.00 H new ATOM 1007 N ALA A 64 1.002 4.448 -8.022 1.00 0.00 N ATOM 1008 CA ALA A 64 0.342 5.454 -8.886 1.00 0.00 C ATOM 1009 C ALA A 64 -1.066 5.806 -8.356 1.00 0.00 C ATOM 1010 O ALA A 64 -1.489 6.967 -8.402 1.00 0.00 O ATOM 1011 CB ALA A 64 0.266 4.939 -10.332 1.00 0.00 C ATOM 0 H ALA A 64 1.190 3.566 -8.498 1.00 0.00 H new ATOM 0 HA ALA A 64 0.939 6.366 -8.869 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.221 5.686 -10.959 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.273 4.752 -10.705 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.308 4.013 -10.359 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.766 4.776 -7.847 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.060 4.916 -7.150 1.00 0.00 C ATOM 1019 C GLN A 65 -2.888 5.777 -5.893 1.00 0.00 C ATOM 1020 O GLN A 65 -3.723 6.640 -5.583 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.633 3.517 -6.770 1.00 0.00 C ATOM 1022 CG GLN A 65 -4.262 2.709 -7.936 1.00 0.00 C ATOM 1023 CD GLN A 65 -5.743 3.032 -8.222 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -6.496 2.164 -8.665 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.177 4.270 -7.997 1.00 0.00 N ATOM 0 H GLN A 65 -1.445 3.810 -7.908 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.765 5.405 -7.822 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.831 2.923 -6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.389 3.652 -5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.683 2.894 -8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.173 1.646 -7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.538 4.975 -7.630 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.148 4.513 -8.192 1.00 0.00 H new ATOM 1034 N GLY A 66 -1.795 5.487 -5.180 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.379 6.238 -4.014 1.00 0.00 C ATOM 1036 C GLY A 66 -1.094 7.700 -4.307 1.00 0.00 C ATOM 1037 O GLY A 66 -1.501 8.549 -3.543 1.00 0.00 O ATOM 0 H GLY A 66 -1.173 4.712 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.157 6.173 -3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.484 5.778 -3.595 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.385 7.969 -5.413 1.00 0.00 N ATOM 1042 CA ILE A 67 0.051 9.329 -5.815 1.00 0.00 C ATOM 1043 C ILE A 67 -1.143 10.294 -5.929 1.00 0.00 C ATOM 1044 O ILE A 67 -1.083 11.419 -5.422 1.00 0.00 O ATOM 1045 CB ILE A 67 0.863 9.263 -7.178 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.269 8.609 -6.940 1.00 0.00 C ATOM 1047 CG2 ILE A 67 0.994 10.644 -7.873 1.00 0.00 C ATOM 1048 CD1 ILE A 67 3.068 8.336 -8.202 1.00 0.00 C ATOM 0 H ILE A 67 -0.091 7.244 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 67 0.707 9.719 -5.037 1.00 0.00 H new ATOM 0 HB ILE A 67 0.292 8.636 -7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.853 9.263 -6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.131 7.670 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.559 10.533 -8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.001 11.034 -8.098 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.514 11.336 -7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.024 7.884 -7.937 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.511 7.655 -8.845 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.244 9.273 -8.731 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.233 9.809 -6.547 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.466 10.590 -6.771 1.00 0.00 C ATOM 1062 C GLU A 68 -4.052 11.075 -5.436 1.00 0.00 C ATOM 1063 O GLU A 68 -4.421 12.241 -5.279 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.514 9.713 -7.500 1.00 0.00 C ATOM 1065 CG GLU A 68 -4.007 9.049 -8.791 1.00 0.00 C ATOM 1066 CD GLU A 68 -5.010 8.045 -9.371 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.048 6.891 -8.905 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.784 8.410 -10.275 1.00 0.00 O ATOM 0 H GLU A 68 -2.286 8.857 -6.909 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.218 11.457 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.856 8.935 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.380 10.329 -7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.799 9.819 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.065 8.540 -8.587 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.129 10.145 -4.486 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.698 10.399 -3.158 1.00 0.00 C ATOM 1077 C VAL A 69 -3.664 11.007 -2.187 1.00 0.00 C ATOM 1078 O VAL A 69 -4.047 11.608 -1.207 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.379 9.113 -2.570 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.573 8.680 -3.451 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.379 7.953 -2.388 1.00 0.00 C ATOM 0 H VAL A 69 -3.798 9.189 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.480 11.149 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.751 9.369 -1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.033 7.787 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.308 9.484 -3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.221 8.464 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.898 7.086 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.944 7.693 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.588 8.259 -1.704 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.360 10.854 -2.460 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.284 11.303 -1.548 1.00 0.00 C ATOM 1093 C ALA A 70 -1.136 12.826 -1.560 1.00 0.00 C ATOM 1094 O ALA A 70 -0.966 13.453 -0.519 1.00 0.00 O ATOM 1095 CB ALA A 70 0.042 10.653 -1.941 1.00 0.00 C ATOM 0 H ALA A 70 -2.016 10.417 -3.315 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.556 10.997 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.827 10.990 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.051 9.569 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.297 10.936 -2.962 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.169 13.384 -2.769 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.132 14.839 -2.992 1.00 0.00 C ATOM 1103 C ARG A 71 -2.385 15.528 -2.381 1.00 0.00 C ATOM 1104 O ARG A 71 -2.264 16.539 -1.678 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.021 15.123 -4.526 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.152 14.469 -5.337 1.00 0.00 C ATOM 1107 CD ARG A 71 -2.166 14.771 -6.838 1.00 0.00 C ATOM 1108 NE ARG A 71 -3.409 14.245 -7.437 1.00 0.00 N ATOM 1109 CZ ARG A 71 -3.705 14.195 -8.737 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -2.863 14.641 -9.656 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -4.880 13.723 -9.109 1.00 0.00 N ATOM 0 H ARG A 71 -1.223 12.841 -3.631 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.259 15.257 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.036 16.200 -4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.061 14.757 -4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.089 13.389 -5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.105 14.786 -4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.097 15.846 -7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.299 14.318 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.112 13.884 -6.792 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.964 15.034 -9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.113 14.592 -10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.547 13.403 -8.406 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.121 13.678 -10.099 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.583 14.957 -2.637 1.00 0.00 N ATOM 1126 CA GLU A 72 -4.870 15.602 -2.291 1.00 0.00 C ATOM 1127 C GLU A 72 -5.353 15.231 -0.876 1.00 0.00 C ATOM 1128 O GLU A 72 -5.587 16.117 -0.044 1.00 0.00 O ATOM 1129 CB GLU A 72 -5.930 15.239 -3.367 1.00 0.00 C ATOM 1130 CG GLU A 72 -5.576 15.758 -4.779 1.00 0.00 C ATOM 1131 CD GLU A 72 -6.549 15.299 -5.878 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -7.587 15.961 -6.075 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -6.283 14.271 -6.537 1.00 0.00 O ATOM 0 H GLU A 72 -3.686 14.046 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.720 16.682 -2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.042 14.155 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.895 15.649 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.555 16.848 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.571 15.424 -5.036 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.464 13.919 -0.600 1.00 0.00 N ATOM 1141 CA GLU A 73 -5.990 13.398 0.685 1.00 0.00 C ATOM 1142 C GLU A 73 -4.901 13.373 1.771 1.00 0.00 C ATOM 1143 O GLU A 73 -5.159 13.787 2.900 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.600 11.983 0.485 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.788 11.938 -0.495 1.00 0.00 C ATOM 1146 CD GLU A 73 -9.009 12.729 0.008 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.814 12.175 0.790 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -9.161 13.915 -0.344 1.00 0.00 O ATOM 0 H GLU A 73 -5.193 13.187 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.776 14.073 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.821 11.312 0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.927 11.601 1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.473 12.339 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.077 10.900 -0.661 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.695 12.898 1.417 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.571 12.815 2.365 1.00 0.00 C ATOM 1157 C GLY A 74 -1.735 14.088 2.380 1.00 0.00 C ATOM 1158 O GLY A 74 -2.211 15.155 1.967 1.00 0.00 O ATOM 0 H GLY A 74 -3.473 12.565 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.956 12.624 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.937 11.969 2.100 1.00 0.00 H new ATOM 1162 N THR A 75 -0.490 13.990 2.877 1.00 0.00 N ATOM 1163 CA THR A 75 0.476 15.111 2.867 1.00 0.00 C ATOM 1164 C THR A 75 1.575 14.874 1.806 1.00 0.00 C ATOM 1165 O THR A 75 1.574 13.848 1.110 1.00 0.00 O ATOM 1166 CB THR A 75 1.127 15.314 4.281 1.00 0.00 C ATOM 1167 OG1 THR A 75 1.817 14.127 4.692 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.089 15.693 5.356 1.00 0.00 C ATOM 0 H THR A 75 -0.122 13.136 3.296 1.00 0.00 H new ATOM 0 HA THR A 75 -0.072 16.017 2.611 1.00 0.00 H new ATOM 0 HB THR A 75 1.831 16.140 4.184 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.601 13.394 4.078 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.590 15.822 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.402 16.624 5.075 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.655 14.901 5.439 1.00 0.00 H new ATOM 1176 N GLN A 76 2.519 15.834 1.703 1.00 0.00 N ATOM 1177 CA GLN A 76 3.635 15.785 0.733 1.00 0.00 C ATOM 1178 C GLN A 76 4.560 14.582 0.994 1.00 0.00 C ATOM 1179 O GLN A 76 5.166 14.044 0.061 1.00 0.00 O ATOM 1180 CB GLN A 76 4.441 17.114 0.785 1.00 0.00 C ATOM 1181 CG GLN A 76 5.508 17.298 -0.324 1.00 0.00 C ATOM 1182 CD GLN A 76 4.939 17.538 -1.737 1.00 0.00 C ATOM 1183 OE1 GLN A 76 3.857 17.073 -2.090 1.00 0.00 O ATOM 1184 NE2 GLN A 76 5.668 18.278 -2.560 1.00 0.00 N ATOM 0 H GLN A 76 2.529 16.667 2.292 1.00 0.00 H new ATOM 0 HA GLN A 76 3.212 15.661 -0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.739 17.946 0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.936 17.179 1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.147 18.140 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.142 16.412 -0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.563 18.655 -2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.334 18.470 -3.504 1.00 0.00 H new ATOM 1193 N LYS A 77 4.643 14.175 2.278 1.00 0.00 N ATOM 1194 CA LYS A 77 5.435 13.011 2.726 1.00 0.00 C ATOM 1195 C LYS A 77 5.020 11.736 1.957 1.00 0.00 C ATOM 1196 O LYS A 77 5.867 11.028 1.400 1.00 0.00 O ATOM 1197 CB LYS A 77 5.245 12.783 4.253 1.00 0.00 C ATOM 1198 CG LYS A 77 6.083 11.611 4.818 1.00 0.00 C ATOM 1199 CD LYS A 77 5.794 11.296 6.300 1.00 0.00 C ATOM 1200 CE LYS A 77 6.641 10.117 6.820 1.00 0.00 C ATOM 1201 NZ LYS A 77 6.354 9.799 8.239 1.00 0.00 N ATOM 0 H LYS A 77 4.158 14.650 3.039 1.00 0.00 H new ATOM 0 HA LYS A 77 6.485 13.219 2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.512 13.697 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.191 12.594 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.890 10.719 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.141 11.846 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.996 12.181 6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.736 11.062 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.449 9.237 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.699 10.357 6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.947 9.001 8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.562 10.629 8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.351 9.544 8.342 1.00 0.00 H new ATOM 1215 N ASP A 78 3.697 11.516 1.903 1.00 0.00 N ATOM 1216 CA ASP A 78 3.077 10.342 1.259 1.00 0.00 C ATOM 1217 C ASP A 78 3.407 10.330 -0.236 1.00 0.00 C ATOM 1218 O ASP A 78 3.841 9.311 -0.782 1.00 0.00 O ATOM 1219 CB ASP A 78 1.536 10.384 1.435 1.00 0.00 C ATOM 1220 CG ASP A 78 1.082 10.450 2.899 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.264 11.508 3.530 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.542 9.456 3.429 1.00 0.00 O ATOM 0 H ASP A 78 3.016 12.157 2.311 1.00 0.00 H new ATOM 0 HA ASP A 78 3.472 9.442 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.142 11.250 0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.102 9.499 0.969 1.00 0.00 H new ATOM 1227 N LEU A 79 3.210 11.507 -0.866 1.00 0.00 N ATOM 1228 CA LEU A 79 3.407 11.708 -2.308 1.00 0.00 C ATOM 1229 C LEU A 79 4.842 11.363 -2.721 1.00 0.00 C ATOM 1230 O LEU A 79 5.059 10.603 -3.675 1.00 0.00 O ATOM 1231 CB LEU A 79 3.079 13.182 -2.695 1.00 0.00 C ATOM 1232 CG LEU A 79 3.196 13.524 -4.215 1.00 0.00 C ATOM 1233 CD1 LEU A 79 2.190 12.711 -5.056 1.00 0.00 C ATOM 1234 CD2 LEU A 79 3.046 15.039 -4.465 1.00 0.00 C ATOM 0 H LEU A 79 2.907 12.350 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 79 2.729 11.040 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.064 13.407 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.747 13.841 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 79 4.197 13.237 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.299 12.974 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.384 11.646 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.175 12.938 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.133 15.242 -5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.070 15.371 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.829 15.575 -3.929 1.00 0.00 H new ATOM 1246 N SER A 80 5.806 11.915 -1.964 1.00 0.00 N ATOM 1247 CA SER A 80 7.242 11.731 -2.206 1.00 0.00 C ATOM 1248 C SER A 80 7.631 10.241 -2.167 1.00 0.00 C ATOM 1249 O SER A 80 8.328 9.764 -3.057 1.00 0.00 O ATOM 1250 CB SER A 80 8.058 12.535 -1.159 1.00 0.00 C ATOM 1251 OG SER A 80 7.707 13.913 -1.173 1.00 0.00 O ATOM 0 H SER A 80 5.605 12.508 -1.159 1.00 0.00 H new ATOM 0 HA SER A 80 7.473 12.105 -3.204 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.882 12.124 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.123 12.427 -1.365 1.00 0.00 H new ATOM 0 HG SER A 80 6.834 14.033 -0.743 1.00 0.00 H new ATOM 1257 N GLU A 81 7.117 9.516 -1.153 1.00 0.00 N ATOM 1258 CA GLU A 81 7.475 8.103 -0.885 1.00 0.00 C ATOM 1259 C GLU A 81 6.866 7.139 -1.917 1.00 0.00 C ATOM 1260 O GLU A 81 7.472 6.121 -2.244 1.00 0.00 O ATOM 1261 CB GLU A 81 7.049 7.690 0.548 1.00 0.00 C ATOM 1262 CG GLU A 81 7.800 8.434 1.661 1.00 0.00 C ATOM 1263 CD GLU A 81 7.487 7.879 3.056 1.00 0.00 C ATOM 1264 OE1 GLU A 81 8.069 6.836 3.429 1.00 0.00 O ATOM 1265 OE2 GLU A 81 6.659 8.463 3.778 1.00 0.00 O ATOM 0 H GLU A 81 6.438 9.894 -0.492 1.00 0.00 H new ATOM 0 HA GLU A 81 8.559 8.031 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.980 7.868 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.209 6.619 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.873 8.366 1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.538 9.491 1.627 1.00 0.00 H new ATOM 1272 N LEU A 82 5.660 7.450 -2.402 1.00 0.00 N ATOM 1273 CA LEU A 82 4.963 6.620 -3.414 1.00 0.00 C ATOM 1274 C LEU A 82 5.593 6.781 -4.807 1.00 0.00 C ATOM 1275 O LEU A 82 5.721 5.803 -5.557 1.00 0.00 O ATOM 1276 CB LEU A 82 3.463 6.972 -3.407 1.00 0.00 C ATOM 1277 CG LEU A 82 2.705 6.466 -2.133 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.423 7.260 -1.871 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.411 4.956 -2.236 1.00 0.00 C ATOM 0 H LEU A 82 5.135 8.275 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 82 5.074 5.567 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.352 8.054 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.994 6.543 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 82 3.361 6.632 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.932 6.873 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.670 8.311 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.753 7.161 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.884 4.626 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.792 4.765 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.349 4.408 -2.328 1.00 0.00 H new ATOM 1291 N GLN A 83 6.005 8.020 -5.121 1.00 0.00 N ATOM 1292 CA GLN A 83 6.792 8.333 -6.328 1.00 0.00 C ATOM 1293 C GLN A 83 8.172 7.658 -6.240 1.00 0.00 C ATOM 1294 O GLN A 83 8.653 7.072 -7.211 1.00 0.00 O ATOM 1295 CB GLN A 83 6.945 9.871 -6.477 1.00 0.00 C ATOM 1296 CG GLN A 83 5.631 10.612 -6.819 1.00 0.00 C ATOM 1297 CD GLN A 83 5.728 12.141 -6.757 1.00 0.00 C ATOM 1298 OE1 GLN A 83 5.085 12.847 -7.533 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.470 12.663 -5.795 1.00 0.00 N ATOM 0 H GLN A 83 5.802 8.836 -4.544 1.00 0.00 H new ATOM 0 HA GLN A 83 6.272 7.951 -7.206 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.345 10.276 -5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.678 10.077 -7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.315 10.321 -7.821 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.853 10.282 -6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.993 12.053 -5.166 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.520 13.675 -5.682 1.00 0.00 H new ATOM 1308 N ASP A 84 8.765 7.725 -5.038 1.00 0.00 N ATOM 1309 CA ASP A 84 10.104 7.181 -4.742 1.00 0.00 C ATOM 1310 C ASP A 84 10.131 5.646 -4.858 1.00 0.00 C ATOM 1311 O ASP A 84 11.085 5.066 -5.400 1.00 0.00 O ATOM 1312 CB ASP A 84 10.526 7.615 -3.318 1.00 0.00 C ATOM 1313 CG ASP A 84 11.906 7.109 -2.890 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.919 7.602 -3.422 1.00 0.00 O ATOM 1315 OD2 ASP A 84 11.986 6.230 -2.004 1.00 0.00 O ATOM 0 H ASP A 84 8.323 8.165 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 84 10.807 7.577 -5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.518 8.704 -3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.783 7.256 -2.606 1.00 0.00 H new ATOM 1320 N ALA A 85 9.067 5.010 -4.349 1.00 0.00 N ATOM 1321 CA ALA A 85 8.955 3.549 -4.282 1.00 0.00 C ATOM 1322 C ALA A 85 8.743 2.946 -5.677 1.00 0.00 C ATOM 1323 O ALA A 85 9.301 1.885 -5.984 1.00 0.00 O ATOM 1324 CB ALA A 85 7.822 3.145 -3.324 1.00 0.00 C ATOM 0 H ALA A 85 8.256 5.499 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 85 9.892 3.150 -3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.750 2.058 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.033 3.532 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.879 3.558 -3.681 1.00 0.00 H new ATOM 1330 N LYS A 86 7.926 3.615 -6.519 1.00 0.00 N ATOM 1331 CA LYS A 86 7.688 3.155 -7.901 1.00 0.00 C ATOM 1332 C LYS A 86 8.922 3.355 -8.795 1.00 0.00 C ATOM 1333 O LYS A 86 9.198 2.495 -9.619 1.00 0.00 O ATOM 1334 CB LYS A 86 6.437 3.805 -8.562 1.00 0.00 C ATOM 1335 CG LYS A 86 6.527 5.323 -8.827 1.00 0.00 C ATOM 1336 CD LYS A 86 5.384 5.841 -9.724 1.00 0.00 C ATOM 1337 CE LYS A 86 5.401 5.203 -11.126 1.00 0.00 C ATOM 1338 NZ LYS A 86 4.368 5.788 -12.023 1.00 0.00 N ATOM 0 H LYS A 86 7.425 4.467 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 86 7.488 2.087 -7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.248 3.301 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.574 3.618 -7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.506 5.855 -7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.484 5.549 -9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.427 5.633 -9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.464 6.924 -9.820 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.386 5.338 -11.573 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.236 4.129 -11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.417 5.328 -12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.425 5.637 -11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.539 6.808 -12.131 1.00 0.00 H new ATOM 1352 N LEU A 87 9.668 4.481 -8.626 1.00 0.00 N ATOM 1353 CA LEU A 87 10.813 4.793 -9.517 1.00 0.00 C ATOM 1354 C LEU A 87 11.978 3.824 -9.277 1.00 0.00 C ATOM 1355 O LEU A 87 12.694 3.470 -10.217 1.00 0.00 O ATOM 1356 CB LEU A 87 11.236 6.307 -9.437 1.00 0.00 C ATOM 1357 CG LEU A 87 11.839 6.874 -8.097 1.00 0.00 C ATOM 1358 CD1 LEU A 87 13.348 6.573 -7.924 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.574 8.393 -7.969 1.00 0.00 C ATOM 0 H LEU A 87 9.500 5.173 -7.896 1.00 0.00 H new ATOM 0 HA LEU A 87 10.486 4.640 -10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.968 6.484 -10.225 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.357 6.905 -9.678 1.00 0.00 H new ATOM 0 HG LEU A 87 11.323 6.350 -7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.697 6.992 -6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.506 5.495 -7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.905 7.020 -8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.001 8.759 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.035 8.915 -8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.500 8.577 -7.974 1.00 0.00 H new ATOM 1371 N LYS A 88 12.178 3.397 -8.013 1.00 0.00 N ATOM 1372 CA LYS A 88 13.191 2.374 -7.690 1.00 0.00 C ATOM 1373 C LYS A 88 12.705 0.974 -8.114 1.00 0.00 C ATOM 1374 O LYS A 88 13.523 0.099 -8.424 1.00 0.00 O ATOM 1375 CB LYS A 88 13.608 2.450 -6.187 1.00 0.00 C ATOM 1376 CG LYS A 88 12.509 2.144 -5.135 1.00 0.00 C ATOM 1377 CD LYS A 88 12.399 0.646 -4.769 1.00 0.00 C ATOM 1378 CE LYS A 88 11.317 0.376 -3.712 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.309 -1.041 -3.284 1.00 0.00 N ATOM 0 H LYS A 88 11.656 3.742 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 88 14.094 2.578 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.432 1.754 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.994 3.451 -5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.715 2.716 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.547 2.487 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.176 0.071 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.361 0.295 -4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.487 1.016 -2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.340 0.639 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.612 -1.170 -2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.056 -1.646 -4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 12.253 -1.304 -2.937 1.00 0.00 H new ATOM 1393 N ALA A 89 11.369 0.767 -8.105 1.00 0.00 N ATOM 1394 CA ALA A 89 10.742 -0.472 -8.603 1.00 0.00 C ATOM 1395 C ALA A 89 10.844 -0.596 -10.146 1.00 0.00 C ATOM 1396 O ALA A 89 10.843 -1.710 -10.687 1.00 0.00 O ATOM 1397 CB ALA A 89 9.289 -0.557 -8.121 1.00 0.00 C ATOM 0 H ALA A 89 10.700 1.452 -7.753 1.00 0.00 H new ATOM 0 HA ALA A 89 11.291 -1.319 -8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.835 -1.475 -8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.267 -0.558 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.731 0.301 -8.495 1.00 0.00 H new