USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 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 76 GLN : amide:sc=-0.00915 K(o=0.5,f=-0.28) USER MOD Set 1.2: A 80 SER OG : rot 80:sc= 0.512 USER MOD Set 2.1: A 10 TYR OH : rot -4:sc= 1.03 USER MOD Set 2.2: A 14 GLN : amide:sc= -0.0855 K(o=1.4,f=-1.4!) USER MOD Set 2.3: A 45 HIS : no HD1:sc= 0.455 K(o=1.4,f=-1.1) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.0099) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= 0.963 (180deg=0.792) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -74:sc= 1.22 USER MOD Single : A 39 TYR OH : rot -175:sc= 0.765 USER MOD Single : A 42 THR OG1 : rot 41:sc= -0.0266 USER MOD Single : A 43 TYR OH : rot -151:sc= -0.0906 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= -0.643 (180deg=-1.75!) USER MOD Single : A 50 TYR OH : rot 28:sc= 0.332 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 76:sc= 0.92 USER MOD Single : A 63 TYR OH : rot -169:sc= 0.181 USER MOD Single : A 65 GLN : amide:sc= -0.552 K(o=-0.55,f=-0.041) USER MOD Single : A 75 THR OG1 : rot -40:sc= -0.156 USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= 0.59 (180deg=0.298) USER MOD Single : A 83 GLN : amide:sc= -0.587 K(o=-0.59,f=-0.0057) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 159:sc= 0.489 (180deg=0.0434) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -10.406 1.392 9.379 1.00 0.00 N ATOM 72 CA PRO A 6 -9.315 1.431 8.366 1.00 0.00 C ATOM 73 C PRO A 6 -7.907 1.331 8.980 1.00 0.00 C ATOM 74 O PRO A 6 -7.122 0.478 8.567 1.00 0.00 O ATOM 75 CB PRO A 6 -9.530 2.789 7.630 1.00 0.00 C ATOM 76 CG PRO A 6 -10.389 3.589 8.564 1.00 0.00 C ATOM 77 CD PRO A 6 -11.288 2.583 9.236 1.00 0.00 C ATOM 0 HA PRO A 6 -9.364 0.572 7.697 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.582 3.290 7.435 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.018 2.645 6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.783 4.125 9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.970 4.336 8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.643 2.941 10.202 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.169 2.363 8.634 1.00 0.00 H new ATOM 85 N PHE A 7 -7.613 2.195 9.977 1.00 0.00 N ATOM 86 CA PHE A 7 -6.304 2.220 10.657 1.00 0.00 C ATOM 87 C PHE A 7 -6.049 0.931 11.463 1.00 0.00 C ATOM 88 O PHE A 7 -4.909 0.470 11.528 1.00 0.00 O ATOM 89 CB PHE A 7 -6.188 3.462 11.581 1.00 0.00 C ATOM 90 CG PHE A 7 -4.804 3.647 12.217 1.00 0.00 C ATOM 91 CD1 PHE A 7 -3.729 4.105 11.453 1.00 0.00 C ATOM 92 CD2 PHE A 7 -4.575 3.360 13.568 1.00 0.00 C ATOM 93 CE1 PHE A 7 -2.477 4.265 12.012 1.00 0.00 C ATOM 94 CE2 PHE A 7 -3.320 3.522 14.125 1.00 0.00 C ATOM 95 CZ PHE A 7 -2.274 3.977 13.348 1.00 0.00 C ATOM 0 H PHE A 7 -8.273 2.889 10.329 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.540 2.283 9.882 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.432 4.354 11.004 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.932 3.382 12.374 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.879 4.338 10.409 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.390 3.007 14.183 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.656 4.616 11.405 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.158 3.293 15.168 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.295 4.108 13.785 1.00 0.00 H new ATOM 105 N THR A 8 -7.109 0.360 12.068 1.00 0.00 N ATOM 106 CA THR A 8 -6.980 -0.824 12.940 1.00 0.00 C ATOM 107 C THR A 8 -6.564 -2.067 12.126 1.00 0.00 C ATOM 108 O THR A 8 -5.642 -2.778 12.508 1.00 0.00 O ATOM 109 CB THR A 8 -8.305 -1.122 13.716 1.00 0.00 C ATOM 110 OG1 THR A 8 -8.781 0.082 14.333 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.110 -2.195 14.810 1.00 0.00 C ATOM 0 H THR A 8 -8.065 0.700 11.968 1.00 0.00 H new ATOM 0 HA THR A 8 -6.202 -0.597 13.668 1.00 0.00 H new ATOM 0 HB THR A 8 -9.027 -1.500 12.993 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.612 -0.105 14.818 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.056 -2.369 15.322 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.769 -3.124 14.352 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.366 -1.851 15.529 1.00 0.00 H new ATOM 119 N ARG A 9 -7.264 -2.295 10.995 1.00 0.00 N ATOM 120 CA ARG A 9 -7.028 -3.453 10.092 1.00 0.00 C ATOM 121 C ARG A 9 -5.747 -3.272 9.266 1.00 0.00 C ATOM 122 O ARG A 9 -5.151 -4.248 8.824 1.00 0.00 O ATOM 123 CB ARG A 9 -8.255 -3.671 9.177 1.00 0.00 C ATOM 124 CG ARG A 9 -8.520 -2.551 8.149 1.00 0.00 C ATOM 125 CD ARG A 9 -9.944 -2.587 7.569 1.00 0.00 C ATOM 126 NE ARG A 9 -10.300 -3.913 7.038 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.183 -4.144 6.066 1.00 0.00 C ATOM 128 NH1 ARG A 9 -11.742 -3.155 5.386 1.00 0.00 N ATOM 129 NH2 ARG A 9 -11.489 -5.385 5.767 1.00 0.00 N ATOM 0 H ARG A 9 -8.014 -1.681 10.677 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.889 -4.342 10.707 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.124 -4.611 8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.140 -3.782 9.804 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.352 -1.584 8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.800 -2.636 7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.657 -2.306 8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.029 -1.846 6.774 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.833 -4.722 7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.500 -2.188 5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.415 -3.360 4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.053 -6.154 6.275 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.163 -5.580 5.026 1.00 0.00 H new ATOM 143 N TYR A 10 -5.377 -2.000 9.032 1.00 0.00 N ATOM 144 CA TYR A 10 -4.091 -1.609 8.420 1.00 0.00 C ATOM 145 C TYR A 10 -2.931 -2.022 9.339 1.00 0.00 C ATOM 146 O TYR A 10 -1.985 -2.676 8.903 1.00 0.00 O ATOM 147 CB TYR A 10 -4.104 -0.071 8.154 1.00 0.00 C ATOM 148 CG TYR A 10 -2.740 0.639 8.080 1.00 0.00 C ATOM 149 CD1 TYR A 10 -1.961 0.613 6.921 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.238 1.341 9.187 1.00 0.00 C ATOM 151 CE1 TYR A 10 -0.744 1.263 6.869 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.025 1.990 9.132 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.281 1.945 7.976 1.00 0.00 C ATOM 154 OH TYR A 10 0.929 2.593 7.920 1.00 0.00 O ATOM 0 H TYR A 10 -5.970 -1.203 9.265 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.951 -2.120 7.468 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.629 0.106 7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.690 0.404 8.941 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.316 0.077 6.053 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.815 1.373 10.100 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.155 1.238 5.964 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.660 2.532 9.992 1.00 0.00 H new ATOM 0 HH TYR A 10 1.353 2.419 7.054 1.00 0.00 H new ATOM 164 N ALA A 11 -3.049 -1.630 10.618 1.00 0.00 N ATOM 165 CA ALA A 11 -2.075 -1.952 11.670 1.00 0.00 C ATOM 166 C ALA A 11 -2.030 -3.472 11.917 1.00 0.00 C ATOM 167 O ALA A 11 -0.967 -4.032 12.166 1.00 0.00 O ATOM 168 CB ALA A 11 -2.436 -1.190 12.957 1.00 0.00 C ATOM 0 H ALA A 11 -3.835 -1.073 10.953 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.081 -1.640 11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.713 -1.430 13.737 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.418 -0.118 12.762 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.434 -1.482 13.285 1.00 0.00 H new ATOM 174 N LEU A 12 -3.211 -4.114 11.814 1.00 0.00 N ATOM 175 CA LEU A 12 -3.372 -5.570 11.968 1.00 0.00 C ATOM 176 C LEU A 12 -2.749 -6.309 10.774 1.00 0.00 C ATOM 177 O LEU A 12 -2.210 -7.399 10.930 1.00 0.00 O ATOM 178 CB LEU A 12 -4.872 -5.937 12.112 1.00 0.00 C ATOM 179 CG LEU A 12 -5.205 -7.448 12.333 1.00 0.00 C ATOM 180 CD1 LEU A 12 -4.575 -7.985 13.639 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.728 -7.689 12.306 1.00 0.00 C ATOM 0 H LEU A 12 -4.087 -3.629 11.620 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.852 -5.881 12.874 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.282 -5.372 12.949 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.392 -5.601 11.215 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.763 -8.006 11.507 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.828 -9.038 13.759 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.492 -7.875 13.592 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.961 -7.420 14.488 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.932 -8.748 12.462 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.202 -7.108 13.097 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.128 -7.381 11.340 1.00 0.00 H new ATOM 193 N ALA A 13 -2.838 -5.695 9.583 1.00 0.00 N ATOM 194 CA ALA A 13 -2.226 -6.223 8.355 1.00 0.00 C ATOM 195 C ALA A 13 -0.703 -6.212 8.477 1.00 0.00 C ATOM 196 O ALA A 13 -0.036 -7.144 8.035 1.00 0.00 O ATOM 197 CB ALA A 13 -2.693 -5.428 7.131 1.00 0.00 C ATOM 0 H ALA A 13 -3.338 -4.817 9.445 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.548 -7.256 8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.228 -5.836 6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.777 -5.500 7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.407 -4.383 7.245 1.00 0.00 H new ATOM 203 N GLN A 14 -0.170 -5.149 9.110 1.00 0.00 N ATOM 204 CA GLN A 14 1.255 -5.056 9.445 1.00 0.00 C ATOM 205 C GLN A 14 1.648 -6.194 10.413 1.00 0.00 C ATOM 206 O GLN A 14 2.730 -6.760 10.289 1.00 0.00 O ATOM 207 CB GLN A 14 1.588 -3.662 10.047 1.00 0.00 C ATOM 208 CG GLN A 14 1.264 -2.473 9.114 1.00 0.00 C ATOM 209 CD GLN A 14 1.657 -1.112 9.704 1.00 0.00 C ATOM 210 OE1 GLN A 14 0.863 -0.454 10.377 1.00 0.00 O ATOM 211 NE2 GLN A 14 2.894 -0.691 9.479 1.00 0.00 N ATOM 0 H GLN A 14 -0.716 -4.338 9.400 1.00 0.00 H new ATOM 0 HA GLN A 14 1.840 -5.168 8.532 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.035 -3.540 10.978 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.648 -3.632 10.300 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.782 -2.613 8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.196 -2.472 8.896 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.531 -1.256 8.918 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.209 0.198 9.867 1.00 0.00 H new ATOM 220 N GLU A 15 0.741 -6.539 11.355 1.00 0.00 N ATOM 221 CA GLU A 15 0.955 -7.655 12.305 1.00 0.00 C ATOM 222 C GLU A 15 0.961 -9.018 11.574 1.00 0.00 C ATOM 223 O GLU A 15 1.735 -9.907 11.930 1.00 0.00 O ATOM 224 CB GLU A 15 -0.118 -7.656 13.431 1.00 0.00 C ATOM 225 CG GLU A 15 -0.230 -6.349 14.245 1.00 0.00 C ATOM 226 CD GLU A 15 1.096 -5.904 14.890 1.00 0.00 C ATOM 227 OE1 GLU A 15 1.445 -6.416 15.970 1.00 0.00 O ATOM 228 OE2 GLU A 15 1.793 -5.042 14.329 1.00 0.00 O ATOM 0 H GLU A 15 -0.150 -6.058 11.478 1.00 0.00 H new ATOM 0 HA GLU A 15 1.932 -7.504 12.764 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.089 -7.869 12.983 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.102 -8.473 14.118 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.590 -5.554 13.591 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.977 -6.482 15.027 1.00 0.00 H new ATOM 235 N HIS A 16 0.064 -9.181 10.573 1.00 0.00 N ATOM 236 CA HIS A 16 0.018 -10.387 9.709 1.00 0.00 C ATOM 237 C HIS A 16 1.340 -10.553 8.930 1.00 0.00 C ATOM 238 O HIS A 16 1.832 -11.670 8.784 1.00 0.00 O ATOM 239 CB HIS A 16 -1.199 -10.354 8.733 1.00 0.00 C ATOM 240 CG HIS A 16 -2.532 -10.677 9.365 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.958 -11.971 9.584 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.539 -9.886 9.809 1.00 0.00 C ATOM 243 CE1 HIS A 16 -4.151 -11.957 10.135 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.525 -10.706 10.284 1.00 0.00 N ATOM 0 H HIS A 16 -0.645 -8.485 10.342 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.110 -11.251 10.361 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.258 -9.363 8.283 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -1.016 -11.061 7.924 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.559 -8.806 9.791 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.726 -12.826 10.417 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.409 -10.396 10.689 1.00 0.00 H new ATOM 253 N LEU A 17 1.912 -9.424 8.459 1.00 0.00 N ATOM 254 CA LEU A 17 3.244 -9.399 7.808 1.00 0.00 C ATOM 255 C LEU A 17 4.320 -9.951 8.762 1.00 0.00 C ATOM 256 O LEU A 17 5.155 -10.772 8.368 1.00 0.00 O ATOM 257 CB LEU A 17 3.614 -7.951 7.378 1.00 0.00 C ATOM 258 CG LEU A 17 2.754 -7.338 6.231 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.085 -5.846 6.001 1.00 0.00 C ATOM 260 CD2 LEU A 17 2.930 -8.148 4.933 1.00 0.00 C ATOM 0 H LEU A 17 1.468 -8.508 8.518 1.00 0.00 H new ATOM 0 HA LEU A 17 3.201 -10.030 6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.535 -7.303 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.659 -7.941 7.067 1.00 0.00 H new ATOM 0 HG LEU A 17 1.709 -7.393 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.465 -5.456 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.888 -5.285 6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.136 -5.744 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.323 -7.706 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.978 -8.135 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.614 -9.178 5.101 1.00 0.00 H new ATOM 272 N LYS A 18 4.243 -9.508 10.027 1.00 0.00 N ATOM 273 CA LYS A 18 5.192 -9.875 11.095 1.00 0.00 C ATOM 274 C LYS A 18 5.041 -11.356 11.503 1.00 0.00 C ATOM 275 O LYS A 18 6.014 -11.983 11.923 1.00 0.00 O ATOM 276 CB LYS A 18 4.976 -8.923 12.302 1.00 0.00 C ATOM 277 CG LYS A 18 5.269 -7.438 11.969 1.00 0.00 C ATOM 278 CD LYS A 18 4.743 -6.443 13.026 1.00 0.00 C ATOM 279 CE LYS A 18 4.940 -4.977 12.592 1.00 0.00 C ATOM 280 NZ LYS A 18 4.391 -4.013 13.576 1.00 0.00 N ATOM 0 H LYS A 18 3.509 -8.875 10.343 1.00 0.00 H new ATOM 0 HA LYS A 18 6.212 -9.762 10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.947 -9.015 12.649 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.619 -9.238 13.124 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.346 -7.305 11.864 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.822 -7.197 11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.684 -6.629 13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.258 -6.613 13.971 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.004 -4.783 12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.458 -4.820 11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.300 -3.077 13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.456 -4.337 13.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.032 -3.947 14.392 1.00 0.00 H new ATOM 294 N HIS A 19 3.813 -11.902 11.366 1.00 0.00 N ATOM 295 CA HIS A 19 3.525 -13.333 11.631 1.00 0.00 C ATOM 296 C HIS A 19 3.735 -14.213 10.381 1.00 0.00 C ATOM 297 O HIS A 19 3.357 -15.395 10.393 1.00 0.00 O ATOM 298 CB HIS A 19 2.079 -13.509 12.159 1.00 0.00 C ATOM 299 CG HIS A 19 1.862 -12.987 13.554 1.00 0.00 C ATOM 300 ND1 HIS A 19 2.622 -13.392 14.628 1.00 0.00 N ATOM 301 CD2 HIS A 19 0.963 -12.106 14.053 1.00 0.00 C ATOM 302 CE1 HIS A 19 2.202 -12.790 15.715 1.00 0.00 C ATOM 303 NE2 HIS A 19 1.198 -12.007 15.396 1.00 0.00 N ATOM 0 H HIS A 19 2.996 -11.368 11.070 1.00 0.00 H new ATOM 0 HA HIS A 19 4.233 -13.662 12.392 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.393 -13.000 11.482 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.822 -14.568 12.136 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.203 -11.580 13.495 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.613 -12.917 16.706 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.677 -11.419 16.046 1.00 0.00 H new ATOM 312 N ASP A 20 4.318 -13.623 9.307 1.00 0.00 N ATOM 313 CA ASP A 20 4.633 -14.317 8.029 1.00 0.00 C ATOM 314 C ASP A 20 3.338 -14.684 7.233 1.00 0.00 C ATOM 315 O ASP A 20 3.394 -15.326 6.176 1.00 0.00 O ATOM 316 CB ASP A 20 5.563 -15.556 8.289 1.00 0.00 C ATOM 317 CG ASP A 20 6.043 -16.283 7.016 1.00 0.00 C ATOM 318 OD1 ASP A 20 6.836 -15.698 6.249 1.00 0.00 O ATOM 319 OD2 ASP A 20 5.638 -17.444 6.776 1.00 0.00 O ATOM 0 H ASP A 20 4.587 -12.639 9.303 1.00 0.00 H new ATOM 0 HA ASP A 20 5.187 -13.628 7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.436 -15.226 8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.028 -16.268 8.918 1.00 0.00 H new ATOM 324 N ASN A 21 2.168 -14.216 7.727 1.00 0.00 N ATOM 325 CA ASN A 21 0.862 -14.339 7.040 1.00 0.00 C ATOM 326 C ASN A 21 0.671 -13.147 6.081 1.00 0.00 C ATOM 327 O ASN A 21 -0.326 -12.412 6.141 1.00 0.00 O ATOM 328 CB ASN A 21 -0.294 -14.414 8.074 1.00 0.00 C ATOM 329 CG ASN A 21 -0.260 -15.683 8.926 1.00 0.00 C ATOM 330 OD1 ASN A 21 0.319 -15.701 10.014 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.869 -16.755 8.438 1.00 0.00 N ATOM 0 H ASN A 21 2.104 -13.737 8.625 1.00 0.00 H new ATOM 0 HA ASN A 21 0.846 -15.262 6.460 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.244 -13.544 8.728 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.247 -14.363 7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.867 -17.627 8.966 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.339 -16.707 7.534 1.00 0.00 H new ATOM 338 N ALA A 22 1.657 -12.990 5.185 1.00 0.00 N ATOM 339 CA ALA A 22 1.696 -11.925 4.175 1.00 0.00 C ATOM 340 C ALA A 22 0.483 -12.005 3.235 1.00 0.00 C ATOM 341 O ALA A 22 -0.008 -10.980 2.776 1.00 0.00 O ATOM 342 CB ALA A 22 3.016 -12.002 3.393 1.00 0.00 C ATOM 0 H ALA A 22 2.464 -13.612 5.142 1.00 0.00 H new ATOM 0 HA ALA A 22 1.645 -10.960 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.042 -11.210 2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.853 -11.879 4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.090 -12.971 2.899 1.00 0.00 H new ATOM 348 N SER A 23 0.026 -13.243 2.969 1.00 0.00 N ATOM 349 CA SER A 23 -1.183 -13.526 2.177 1.00 0.00 C ATOM 350 C SER A 23 -2.452 -12.903 2.801 1.00 0.00 C ATOM 351 O SER A 23 -3.298 -12.346 2.087 1.00 0.00 O ATOM 352 CB SER A 23 -1.355 -15.053 2.037 1.00 0.00 C ATOM 353 OG SER A 23 -0.174 -15.655 1.532 1.00 0.00 O ATOM 0 H SER A 23 0.494 -14.086 3.303 1.00 0.00 H new ATOM 0 HA SER A 23 -1.054 -13.071 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.601 -15.485 3.007 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.190 -15.269 1.371 1.00 0.00 H new ATOM 0 HG SER A 23 -0.308 -16.623 1.454 1.00 0.00 H new ATOM 359 N ARG A 24 -2.576 -12.998 4.141 1.00 0.00 N ATOM 360 CA ARG A 24 -3.740 -12.466 4.876 1.00 0.00 C ATOM 361 C ARG A 24 -3.678 -10.927 4.922 1.00 0.00 C ATOM 362 O ARG A 24 -4.706 -10.247 4.819 1.00 0.00 O ATOM 363 CB ARG A 24 -3.781 -13.053 6.315 1.00 0.00 C ATOM 364 CG ARG A 24 -3.761 -14.596 6.392 1.00 0.00 C ATOM 365 CD ARG A 24 -4.895 -15.260 5.594 1.00 0.00 C ATOM 366 NE ARG A 24 -4.798 -16.734 5.613 1.00 0.00 N ATOM 367 CZ ARG A 24 -4.975 -17.545 4.557 1.00 0.00 C ATOM 368 NH1 ARG A 24 -5.229 -17.040 3.354 1.00 0.00 N ATOM 369 NH2 ARG A 24 -4.892 -18.860 4.719 1.00 0.00 N ATOM 0 H ARG A 24 -1.878 -13.442 4.739 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.651 -12.762 4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.929 -12.665 6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.680 -12.691 6.813 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.803 -14.959 6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.833 -14.902 7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.856 -14.955 6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.866 -14.908 4.563 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.577 -17.174 6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.291 -16.030 3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.362 -17.663 2.557 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.695 -19.249 5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.025 -19.482 3.921 1.00 0.00 H new ATOM 383 N ALA A 25 -2.446 -10.410 5.072 1.00 0.00 N ATOM 384 CA ALA A 25 -2.154 -8.965 5.056 1.00 0.00 C ATOM 385 C ALA A 25 -2.441 -8.365 3.673 1.00 0.00 C ATOM 386 O ALA A 25 -2.891 -7.223 3.564 1.00 0.00 O ATOM 387 CB ALA A 25 -0.690 -8.737 5.434 1.00 0.00 C ATOM 0 H ALA A 25 -1.617 -10.988 5.209 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.799 -8.469 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.473 -7.669 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.506 -9.134 6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.046 -9.246 4.717 1.00 0.00 H new ATOM 393 N LEU A 26 -2.178 -9.178 2.632 1.00 0.00 N ATOM 394 CA LEU A 26 -2.352 -8.796 1.225 1.00 0.00 C ATOM 395 C LEU A 26 -3.824 -8.506 0.957 1.00 0.00 C ATOM 396 O LEU A 26 -4.164 -7.439 0.466 1.00 0.00 O ATOM 397 CB LEU A 26 -1.833 -9.931 0.300 1.00 0.00 C ATOM 398 CG LEU A 26 -1.783 -9.621 -1.226 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.740 -8.531 -1.555 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.512 -10.904 -2.037 1.00 0.00 C ATOM 0 H LEU A 26 -1.834 -10.131 2.751 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.775 -7.896 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.829 -10.203 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.464 -10.807 0.449 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.760 -9.233 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.736 -8.344 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.995 -7.612 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.248 -8.867 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.481 -10.663 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.556 -11.331 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.307 -11.626 -1.851 1.00 0.00 H new ATOM 412 N ALA A 27 -4.677 -9.473 1.333 1.00 0.00 N ATOM 413 CA ALA A 27 -6.139 -9.361 1.224 1.00 0.00 C ATOM 414 C ALA A 27 -6.685 -8.125 1.971 1.00 0.00 C ATOM 415 O ALA A 27 -7.573 -7.440 1.458 1.00 0.00 O ATOM 416 CB ALA A 27 -6.790 -10.653 1.738 1.00 0.00 C ATOM 0 H ALA A 27 -4.367 -10.362 1.725 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.394 -9.223 0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.874 -10.571 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.445 -11.497 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.514 -10.809 2.781 1.00 0.00 H new ATOM 422 N LEU A 28 -6.145 -7.860 3.185 1.00 0.00 N ATOM 423 CA LEU A 28 -6.531 -6.684 4.002 1.00 0.00 C ATOM 424 C LEU A 28 -6.261 -5.360 3.265 1.00 0.00 C ATOM 425 O LEU A 28 -7.157 -4.514 3.169 1.00 0.00 O ATOM 426 CB LEU A 28 -5.808 -6.695 5.385 1.00 0.00 C ATOM 427 CG LEU A 28 -6.350 -7.722 6.433 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.542 -7.678 7.749 1.00 0.00 C ATOM 429 CD2 LEU A 28 -7.851 -7.486 6.714 1.00 0.00 C ATOM 0 H LEU A 28 -5.436 -8.449 3.622 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.605 -6.756 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.750 -6.900 5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.875 -5.696 5.816 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.229 -8.716 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.950 -8.406 8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.499 -7.917 7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.607 -6.680 8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.203 -8.213 7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.994 -6.479 7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.417 -7.599 5.789 1.00 0.00 H new ATOM 441 N PHE A 29 -5.035 -5.206 2.736 1.00 0.00 N ATOM 442 CA PHE A 29 -4.613 -3.981 2.041 1.00 0.00 C ATOM 443 C PHE A 29 -5.373 -3.806 0.702 1.00 0.00 C ATOM 444 O PHE A 29 -5.807 -2.704 0.373 1.00 0.00 O ATOM 445 CB PHE A 29 -3.080 -3.976 1.805 1.00 0.00 C ATOM 446 CG PHE A 29 -2.194 -3.777 3.048 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.418 -2.712 3.926 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.119 -4.635 3.322 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.605 -2.516 5.032 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.307 -4.434 4.425 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.551 -3.377 5.282 1.00 0.00 C ATOM 0 H PHE A 29 -4.313 -5.925 2.779 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.862 -3.135 2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.804 -4.921 1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.847 -3.186 1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.236 -2.032 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.921 -5.466 2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.795 -1.689 5.700 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.518 -5.104 4.616 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.080 -3.224 6.145 1.00 0.00 H new ATOM 461 N GLU A 30 -5.528 -4.898 -0.064 1.00 0.00 N ATOM 462 CA GLU A 30 -6.284 -4.894 -1.339 1.00 0.00 C ATOM 463 C GLU A 30 -7.759 -4.491 -1.127 1.00 0.00 C ATOM 464 O GLU A 30 -8.338 -3.785 -1.965 1.00 0.00 O ATOM 465 CB GLU A 30 -6.188 -6.277 -2.036 1.00 0.00 C ATOM 466 CG GLU A 30 -4.775 -6.646 -2.528 1.00 0.00 C ATOM 467 CD GLU A 30 -4.718 -8.024 -3.209 1.00 0.00 C ATOM 468 OE1 GLU A 30 -4.844 -9.049 -2.511 1.00 0.00 O ATOM 469 OE2 GLU A 30 -4.557 -8.092 -4.447 1.00 0.00 O ATOM 0 H GLU A 30 -5.136 -5.808 0.177 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.830 -4.145 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.530 -7.045 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.870 -6.290 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.430 -5.886 -3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.087 -6.636 -1.682 1.00 0.00 H new ATOM 476 N GLU A 31 -8.355 -4.931 0.003 1.00 0.00 N ATOM 477 CA GLU A 31 -9.729 -4.545 0.349 1.00 0.00 C ATOM 478 C GLU A 31 -9.774 -3.066 0.745 1.00 0.00 C ATOM 479 O GLU A 31 -10.685 -2.352 0.352 1.00 0.00 O ATOM 480 CB GLU A 31 -10.345 -5.413 1.475 1.00 0.00 C ATOM 481 CG GLU A 31 -11.884 -5.273 1.557 1.00 0.00 C ATOM 482 CD GLU A 31 -12.529 -5.966 2.758 1.00 0.00 C ATOM 483 OE1 GLU A 31 -12.270 -7.162 2.980 1.00 0.00 O ATOM 484 OE2 GLU A 31 -13.310 -5.320 3.493 1.00 0.00 O ATOM 0 H GLU A 31 -7.907 -5.547 0.681 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.334 -4.714 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.087 -6.458 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.906 -5.127 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.137 -4.213 1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.321 -5.678 0.644 1.00 0.00 H new ATOM 491 N LEU A 32 -8.755 -2.627 1.504 1.00 0.00 N ATOM 492 CA LEU A 32 -8.607 -1.231 1.948 1.00 0.00 C ATOM 493 C LEU A 32 -8.601 -0.257 0.758 1.00 0.00 C ATOM 494 O LEU A 32 -9.111 0.845 0.877 1.00 0.00 O ATOM 495 CB LEU A 32 -7.321 -1.061 2.807 1.00 0.00 C ATOM 496 CG LEU A 32 -7.451 -1.399 4.324 1.00 0.00 C ATOM 497 CD1 LEU A 32 -6.065 -1.476 5.010 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.349 -0.356 5.022 1.00 0.00 C ATOM 0 H LEU A 32 -8.005 -3.237 1.829 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.471 -0.988 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.540 -1.692 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.982 -0.029 2.715 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.913 -2.382 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.194 -1.713 6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.466 -2.253 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.557 -0.516 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.434 -0.600 6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.909 0.635 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.339 -0.366 4.567 1.00 0.00 H new ATOM 510 N VAL A 33 -8.005 -0.673 -0.374 1.00 0.00 N ATOM 511 CA VAL A 33 -8.024 0.111 -1.622 1.00 0.00 C ATOM 512 C VAL A 33 -9.449 0.194 -2.199 1.00 0.00 C ATOM 513 O VAL A 33 -9.977 1.293 -2.398 1.00 0.00 O ATOM 514 CB VAL A 33 -7.039 -0.490 -2.702 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.129 0.258 -4.060 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.586 -0.484 -2.185 1.00 0.00 C ATOM 0 H VAL A 33 -7.500 -1.556 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.685 1.117 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.350 -1.521 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.434 -0.191 -4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.144 0.184 -4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.872 1.307 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.927 -0.902 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.282 0.539 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.520 -1.085 -1.278 1.00 0.00 H new ATOM 526 N GLU A 34 -10.062 -0.982 -2.462 1.00 0.00 N ATOM 527 CA GLU A 34 -11.362 -1.062 -3.171 1.00 0.00 C ATOM 528 C GLU A 34 -12.506 -0.389 -2.381 1.00 0.00 C ATOM 529 O GLU A 34 -13.413 0.200 -2.983 1.00 0.00 O ATOM 530 CB GLU A 34 -11.728 -2.535 -3.521 1.00 0.00 C ATOM 531 CG GLU A 34 -12.108 -3.426 -2.323 1.00 0.00 C ATOM 532 CD GLU A 34 -12.384 -4.894 -2.702 1.00 0.00 C ATOM 533 OE1 GLU A 34 -13.364 -5.152 -3.426 1.00 0.00 O ATOM 534 OE2 GLU A 34 -11.630 -5.796 -2.269 1.00 0.00 O ATOM 0 H GLU A 34 -9.679 -1.889 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.242 -0.507 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.561 -2.527 -4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.881 -2.989 -4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.302 -3.395 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.994 -3.012 -1.841 1.00 0.00 H new ATOM 541 N THR A 35 -12.461 -0.473 -1.036 1.00 0.00 N ATOM 542 CA THR A 35 -13.489 0.104 -0.160 1.00 0.00 C ATOM 543 C THR A 35 -13.172 1.574 0.166 1.00 0.00 C ATOM 544 O THR A 35 -14.061 2.429 0.114 1.00 0.00 O ATOM 545 CB THR A 35 -13.633 -0.720 1.169 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.371 -0.779 1.860 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.137 -2.151 0.901 1.00 0.00 C ATOM 0 H THR A 35 -11.710 -0.943 -0.531 1.00 0.00 H new ATOM 0 HA THR A 35 -14.436 0.060 -0.697 1.00 0.00 H new ATOM 0 HB THR A 35 -14.369 -0.209 1.790 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.771 -1.397 1.393 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.223 -2.689 1.845 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.113 -2.108 0.417 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.432 -2.669 0.251 1.00 0.00 H new ATOM 555 N ASP A 36 -11.890 1.868 0.457 1.00 0.00 N ATOM 556 CA ASP A 36 -11.435 3.211 0.896 1.00 0.00 C ATOM 557 C ASP A 36 -10.270 3.666 0.001 1.00 0.00 C ATOM 558 O ASP A 36 -9.100 3.578 0.409 1.00 0.00 O ATOM 559 CB ASP A 36 -10.996 3.204 2.395 1.00 0.00 C ATOM 560 CG ASP A 36 -12.127 2.833 3.355 1.00 0.00 C ATOM 561 OD1 ASP A 36 -12.925 3.722 3.720 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.240 1.651 3.734 1.00 0.00 O ATOM 0 H ASP A 36 -11.136 1.183 0.396 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.267 3.908 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.175 2.499 2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.614 4.190 2.659 1.00 0.00 H new ATOM 567 N PRO A 37 -10.549 4.151 -1.256 1.00 0.00 N ATOM 568 CA PRO A 37 -9.484 4.610 -2.174 1.00 0.00 C ATOM 569 C PRO A 37 -8.790 5.882 -1.653 1.00 0.00 C ATOM 570 O PRO A 37 -7.707 6.241 -2.113 1.00 0.00 O ATOM 571 CB PRO A 37 -10.210 4.850 -3.533 1.00 0.00 C ATOM 572 CG PRO A 37 -11.592 4.265 -3.357 1.00 0.00 C ATOM 573 CD PRO A 37 -11.888 4.307 -1.876 1.00 0.00 C ATOM 0 HA PRO A 37 -8.681 3.879 -2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.260 5.913 -3.769 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.680 4.366 -4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.331 4.839 -3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.631 3.242 -3.732 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.358 5.247 -1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.565 3.506 -1.578 1.00 0.00 H new ATOM 581 N ASP A 38 -9.441 6.537 -0.680 1.00 0.00 N ATOM 582 CA ASP A 38 -8.937 7.725 0.006 1.00 0.00 C ATOM 583 C ASP A 38 -7.715 7.402 0.888 1.00 0.00 C ATOM 584 O ASP A 38 -6.774 8.205 0.943 1.00 0.00 O ATOM 585 CB ASP A 38 -10.089 8.321 0.863 1.00 0.00 C ATOM 586 CG ASP A 38 -9.683 9.538 1.721 1.00 0.00 C ATOM 587 OD1 ASP A 38 -9.532 10.639 1.166 1.00 0.00 O ATOM 588 OD2 ASP A 38 -9.509 9.391 2.951 1.00 0.00 O ATOM 0 H ASP A 38 -10.358 6.243 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.604 8.450 -0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.903 8.615 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.477 7.542 1.520 1.00 0.00 H new ATOM 593 N TYR A 39 -7.740 6.234 1.581 1.00 0.00 N ATOM 594 CA TYR A 39 -6.701 5.879 2.567 1.00 0.00 C ATOM 595 C TYR A 39 -5.353 5.618 1.868 1.00 0.00 C ATOM 596 O TYR A 39 -5.102 4.531 1.323 1.00 0.00 O ATOM 597 CB TYR A 39 -7.132 4.669 3.448 1.00 0.00 C ATOM 598 CG TYR A 39 -6.234 4.447 4.688 1.00 0.00 C ATOM 599 CD1 TYR A 39 -5.851 5.525 5.495 1.00 0.00 C ATOM 600 CD2 TYR A 39 -5.760 3.186 5.043 1.00 0.00 C ATOM 601 CE1 TYR A 39 -5.043 5.347 6.599 1.00 0.00 C ATOM 602 CE2 TYR A 39 -4.954 3.007 6.149 1.00 0.00 C ATOM 603 CZ TYR A 39 -4.591 4.091 6.917 1.00 0.00 C ATOM 604 OH TYR A 39 -3.781 3.914 8.017 1.00 0.00 O ATOM 0 H TYR A 39 -8.468 5.528 1.471 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.573 6.729 3.237 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.160 4.820 3.778 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.122 3.766 2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.196 6.518 5.248 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.029 2.331 4.440 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.767 6.193 7.211 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -4.608 2.018 6.412 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.488 2.980 8.061 1.00 0.00 H new ATOM 614 N VAL A 40 -4.501 6.654 1.903 1.00 0.00 N ATOM 615 CA VAL A 40 -3.209 6.689 1.207 1.00 0.00 C ATOM 616 C VAL A 40 -2.208 5.699 1.851 1.00 0.00 C ATOM 617 O VAL A 40 -1.374 5.095 1.154 1.00 0.00 O ATOM 618 CB VAL A 40 -2.599 8.143 1.234 1.00 0.00 C ATOM 619 CG1 VAL A 40 -1.375 8.242 0.315 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.641 9.223 0.859 1.00 0.00 C ATOM 0 H VAL A 40 -4.696 7.507 2.427 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.384 6.394 0.172 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.285 8.333 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.973 9.255 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.613 7.537 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.668 8.005 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.173 10.207 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.016 9.033 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.469 9.191 1.567 1.00 0.00 H new ATOM 630 N GLY A 41 -2.342 5.530 3.192 1.00 0.00 N ATOM 631 CA GLY A 41 -1.445 4.680 3.982 1.00 0.00 C ATOM 632 C GLY A 41 -1.409 3.227 3.522 1.00 0.00 C ATOM 633 O GLY A 41 -0.380 2.551 3.644 1.00 0.00 O ATOM 0 H GLY A 41 -3.073 5.980 3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.436 5.091 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.755 4.713 5.026 1.00 0.00 H new ATOM 637 N THR A 42 -2.546 2.752 2.987 1.00 0.00 N ATOM 638 CA THR A 42 -2.655 1.425 2.383 1.00 0.00 C ATOM 639 C THR A 42 -1.680 1.249 1.210 1.00 0.00 C ATOM 640 O THR A 42 -0.902 0.301 1.196 1.00 0.00 O ATOM 641 CB THR A 42 -4.101 1.172 1.875 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.998 1.186 2.979 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.225 -0.163 1.133 1.00 0.00 C ATOM 0 H THR A 42 -3.416 3.284 2.964 1.00 0.00 H new ATOM 0 HA THR A 42 -2.401 0.703 3.159 1.00 0.00 H new ATOM 0 HB THR A 42 -4.350 1.966 1.171 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.750 1.909 3.593 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.253 -0.298 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.557 -0.164 0.271 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.953 -0.978 1.803 1.00 0.00 H new ATOM 651 N TYR A 43 -1.730 2.200 0.256 1.00 0.00 N ATOM 652 CA TYR A 43 -1.080 2.077 -1.066 1.00 0.00 C ATOM 653 C TYR A 43 0.428 1.821 -0.970 1.00 0.00 C ATOM 654 O TYR A 43 0.969 0.997 -1.718 1.00 0.00 O ATOM 655 CB TYR A 43 -1.362 3.333 -1.915 1.00 0.00 C ATOM 656 CG TYR A 43 -2.831 3.469 -2.344 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.321 2.750 -3.434 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.717 4.323 -1.682 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.623 2.880 -3.847 1.00 0.00 C ATOM 660 CE2 TYR A 43 -5.027 4.444 -2.096 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.468 3.723 -3.182 1.00 0.00 C ATOM 662 OH TYR A 43 -6.759 3.850 -3.616 1.00 0.00 O ATOM 0 H TYR A 43 -2.226 3.082 0.381 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.512 1.203 -1.552 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.075 4.218 -1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.733 3.308 -2.805 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.662 2.077 -3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.371 4.896 -0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.979 2.317 -4.697 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.704 5.102 -1.570 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.089 4.748 -3.402 1.00 0.00 H new ATOM 672 N TYR A 44 1.090 2.566 -0.075 1.00 0.00 N ATOM 673 CA TYR A 44 2.506 2.362 0.248 1.00 0.00 C ATOM 674 C TYR A 44 2.774 0.903 0.673 1.00 0.00 C ATOM 675 O TYR A 44 3.472 0.172 -0.025 1.00 0.00 O ATOM 676 CB TYR A 44 2.930 3.368 1.349 1.00 0.00 C ATOM 677 CG TYR A 44 4.437 3.372 1.653 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.357 3.878 0.725 1.00 0.00 C ATOM 679 CD2 TYR A 44 4.943 2.862 2.852 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.713 3.877 0.993 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.293 2.861 3.115 1.00 0.00 C ATOM 682 CZ TYR A 44 7.174 3.366 2.188 1.00 0.00 C ATOM 683 OH TYR A 44 8.525 3.361 2.458 1.00 0.00 O ATOM 0 H TYR A 44 0.657 3.328 0.446 1.00 0.00 H new ATOM 0 HA TYR A 44 3.109 2.545 -0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.630 4.371 1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.387 3.137 2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.001 4.275 -0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.260 2.461 3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.409 4.275 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.661 2.464 4.049 1.00 0.00 H new ATOM 0 HH TYR A 44 8.680 2.968 3.342 1.00 0.00 H new ATOM 693 N HIS A 45 2.130 0.492 1.775 1.00 0.00 N ATOM 694 CA HIS A 45 2.365 -0.818 2.429 1.00 0.00 C ATOM 695 C HIS A 45 1.940 -2.015 1.548 1.00 0.00 C ATOM 696 O HIS A 45 2.556 -3.086 1.619 1.00 0.00 O ATOM 697 CB HIS A 45 1.648 -0.859 3.804 1.00 0.00 C ATOM 698 CG HIS A 45 2.202 0.120 4.804 1.00 0.00 C ATOM 699 ND1 HIS A 45 2.826 -0.260 5.967 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.247 1.472 4.792 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.226 0.810 6.617 1.00 0.00 C ATOM 702 NE2 HIS A 45 2.889 1.876 5.925 1.00 0.00 N ATOM 0 H HIS A 45 1.425 1.058 2.246 1.00 0.00 H new ATOM 0 HA HIS A 45 3.440 -0.917 2.579 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.588 -0.654 3.657 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.724 -1.866 4.214 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.846 2.116 4.023 1.00 0.00 H new ATOM 0 HE1 HIS A 45 3.746 0.813 7.564 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.076 2.843 6.191 1.00 0.00 H new ATOM 711 N LEU A 46 0.909 -1.818 0.710 1.00 0.00 N ATOM 712 CA LEU A 46 0.423 -2.851 -0.223 1.00 0.00 C ATOM 713 C LEU A 46 1.419 -3.033 -1.366 1.00 0.00 C ATOM 714 O LEU A 46 1.682 -4.163 -1.788 1.00 0.00 O ATOM 715 CB LEU A 46 -0.974 -2.487 -0.791 1.00 0.00 C ATOM 716 CG LEU A 46 -1.575 -3.489 -1.841 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.624 -4.946 -1.316 1.00 0.00 C ATOM 718 CD2 LEU A 46 -2.970 -3.033 -2.317 1.00 0.00 C ATOM 0 H LEU A 46 0.390 -0.942 0.659 1.00 0.00 H new ATOM 0 HA LEU A 46 0.330 -3.786 0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.672 -2.403 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.910 -1.502 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.898 -3.481 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.048 -5.595 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.615 -5.280 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.244 -4.989 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.358 -3.748 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.646 -2.979 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.893 -2.050 -2.781 1.00 0.00 H new ATOM 730 N GLY A 47 1.974 -1.908 -1.849 1.00 0.00 N ATOM 731 CA GLY A 47 2.950 -1.935 -2.925 1.00 0.00 C ATOM 732 C GLY A 47 4.265 -2.554 -2.478 1.00 0.00 C ATOM 733 O GLY A 47 4.894 -3.282 -3.240 1.00 0.00 O ATOM 0 H GLY A 47 1.756 -0.973 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.549 -2.501 -3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.128 -0.920 -3.280 1.00 0.00 H new ATOM 737 N LYS A 48 4.672 -2.265 -1.220 1.00 0.00 N ATOM 738 CA LYS A 48 5.900 -2.829 -0.627 1.00 0.00 C ATOM 739 C LYS A 48 5.767 -4.359 -0.536 1.00 0.00 C ATOM 740 O LYS A 48 6.706 -5.096 -0.845 1.00 0.00 O ATOM 741 CB LYS A 48 6.173 -2.219 0.781 1.00 0.00 C ATOM 742 CG LYS A 48 6.371 -0.675 0.820 1.00 0.00 C ATOM 743 CD LYS A 48 7.606 -0.139 0.030 1.00 0.00 C ATOM 744 CE LYS A 48 8.941 -0.270 0.786 1.00 0.00 C ATOM 745 NZ LYS A 48 9.298 -1.664 1.118 1.00 0.00 N ATOM 0 H LYS A 48 4.162 -1.640 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 48 6.747 -2.577 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.341 -2.477 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.063 -2.692 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.473 -0.200 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.463 -0.364 1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.681 -0.678 -0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.440 0.910 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.736 0.166 0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.886 0.311 1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.333 -1.753 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.878 -1.921 2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.935 -2.301 0.380 1.00 0.00 H new ATOM 759 N LEU A 49 4.561 -4.805 -0.148 1.00 0.00 N ATOM 760 CA LEU A 49 4.217 -6.228 -0.035 1.00 0.00 C ATOM 761 C LEU A 49 4.203 -6.908 -1.421 1.00 0.00 C ATOM 762 O LEU A 49 4.650 -8.051 -1.558 1.00 0.00 O ATOM 763 CB LEU A 49 2.859 -6.372 0.699 1.00 0.00 C ATOM 764 CG LEU A 49 2.285 -7.819 0.857 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.334 -8.807 1.427 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.013 -7.796 1.735 1.00 0.00 C ATOM 0 H LEU A 49 3.792 -4.181 0.098 1.00 0.00 H new ATOM 0 HA LEU A 49 4.980 -6.739 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.964 -5.939 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.121 -5.772 0.167 1.00 0.00 H new ATOM 0 HG LEU A 49 2.022 -8.179 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.889 -9.798 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.191 -8.855 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.661 -8.464 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.623 -8.809 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.258 -7.400 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.259 -7.163 1.267 1.00 0.00 H new ATOM 778 N TYR A 50 3.689 -6.190 -2.433 1.00 0.00 N ATOM 779 CA TYR A 50 3.722 -6.638 -3.836 1.00 0.00 C ATOM 780 C TYR A 50 5.168 -6.894 -4.304 1.00 0.00 C ATOM 781 O TYR A 50 5.444 -7.933 -4.893 1.00 0.00 O ATOM 782 CB TYR A 50 3.030 -5.611 -4.774 1.00 0.00 C ATOM 783 CG TYR A 50 1.499 -5.717 -4.866 1.00 0.00 C ATOM 784 CD1 TYR A 50 0.865 -6.963 -4.948 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.693 -4.579 -4.920 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.505 -7.062 -5.072 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.672 -4.682 -5.052 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.264 -5.917 -5.125 1.00 0.00 C ATOM 789 OH TYR A 50 -2.624 -6.007 -5.263 1.00 0.00 O ATOM 0 H TYR A 50 3.239 -5.284 -2.302 1.00 0.00 H new ATOM 0 HA TYR A 50 3.170 -7.576 -3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.286 -4.607 -4.435 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.444 -5.725 -5.776 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.460 -7.864 -4.913 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.149 -3.602 -4.857 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.978 -8.031 -5.127 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.278 -3.789 -5.098 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.937 -6.851 -4.876 1.00 0.00 H new ATOM 799 N GLU A 51 6.079 -5.949 -4.015 1.00 0.00 N ATOM 800 CA GLU A 51 7.512 -6.066 -4.376 1.00 0.00 C ATOM 801 C GLU A 51 8.142 -7.340 -3.766 1.00 0.00 C ATOM 802 O GLU A 51 8.961 -8.006 -4.413 1.00 0.00 O ATOM 803 CB GLU A 51 8.288 -4.807 -3.916 1.00 0.00 C ATOM 804 CG GLU A 51 7.825 -3.495 -4.578 1.00 0.00 C ATOM 805 CD GLU A 51 8.580 -2.267 -4.055 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.328 -1.850 -2.905 1.00 0.00 O ATOM 807 OE2 GLU A 51 9.464 -1.735 -4.762 1.00 0.00 O ATOM 0 H GLU A 51 5.849 -5.084 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 51 7.580 -6.145 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.188 -4.709 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.348 -4.951 -4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.964 -3.569 -5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.758 -3.362 -4.402 1.00 0.00 H new ATOM 814 N ARG A 52 7.717 -7.677 -2.530 1.00 0.00 N ATOM 815 CA ARG A 52 8.157 -8.897 -1.816 1.00 0.00 C ATOM 816 C ARG A 52 7.725 -10.162 -2.579 1.00 0.00 C ATOM 817 O ARG A 52 8.491 -11.120 -2.708 1.00 0.00 O ATOM 818 CB ARG A 52 7.553 -8.924 -0.383 1.00 0.00 C ATOM 819 CG ARG A 52 7.988 -7.755 0.521 1.00 0.00 C ATOM 820 CD ARG A 52 7.268 -7.753 1.882 1.00 0.00 C ATOM 821 NE ARG A 52 7.504 -9.002 2.635 1.00 0.00 N ATOM 822 CZ ARG A 52 7.515 -9.127 3.972 1.00 0.00 C ATOM 823 NH1 ARG A 52 7.384 -8.070 4.770 1.00 0.00 N ATOM 824 NH2 ARG A 52 7.678 -10.325 4.509 1.00 0.00 N ATOM 0 H ARG A 52 7.058 -7.110 -1.997 1.00 0.00 H new ATOM 0 HA ARG A 52 9.245 -8.880 -1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.466 -8.920 -0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.834 -9.861 0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.064 -7.809 0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.791 -6.813 0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.611 -6.903 2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.197 -7.621 1.726 1.00 0.00 H new ATOM 0 HE ARG A 52 7.674 -9.847 2.089 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.272 -7.139 4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.396 -8.191 5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.794 -11.142 3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.688 -10.432 5.523 1.00 0.00 H new ATOM 838 N LEU A 53 6.487 -10.124 -3.101 1.00 0.00 N ATOM 839 CA LEU A 53 5.850 -11.262 -3.792 1.00 0.00 C ATOM 840 C LEU A 53 6.187 -11.296 -5.303 1.00 0.00 C ATOM 841 O LEU A 53 5.549 -12.039 -6.054 1.00 0.00 O ATOM 842 CB LEU A 53 4.315 -11.175 -3.579 1.00 0.00 C ATOM 843 CG LEU A 53 3.834 -11.176 -2.092 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.305 -10.999 -1.996 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.299 -12.451 -1.347 1.00 0.00 C ATOM 0 H LEU A 53 5.894 -9.296 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 53 6.240 -12.187 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.952 -10.266 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.848 -12.015 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 53 4.297 -10.321 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.003 -11.004 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.019 -10.051 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.810 -11.817 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.947 -12.419 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.890 -13.332 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.388 -12.502 -1.357 1.00 0.00 H new ATOM 857 N ASP A 54 7.202 -10.495 -5.730 1.00 0.00 N ATOM 858 CA ASP A 54 7.628 -10.360 -7.154 1.00 0.00 C ATOM 859 C ASP A 54 6.504 -9.788 -8.054 1.00 0.00 C ATOM 860 O ASP A 54 6.561 -9.875 -9.284 1.00 0.00 O ATOM 861 CB ASP A 54 8.163 -11.712 -7.713 1.00 0.00 C ATOM 862 CG ASP A 54 9.421 -12.216 -6.984 1.00 0.00 C ATOM 863 OD1 ASP A 54 9.290 -12.834 -5.899 1.00 0.00 O ATOM 864 OD2 ASP A 54 10.542 -11.996 -7.488 1.00 0.00 O ATOM 0 H ASP A 54 7.752 -9.920 -5.092 1.00 0.00 H new ATOM 0 HA ASP A 54 8.445 -9.639 -7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.379 -12.465 -7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.388 -11.596 -8.773 1.00 0.00 H new ATOM 869 N ARG A 55 5.512 -9.164 -7.413 1.00 0.00 N ATOM 870 CA ARG A 55 4.379 -8.495 -8.072 1.00 0.00 C ATOM 871 C ARG A 55 4.701 -6.997 -8.228 1.00 0.00 C ATOM 872 O ARG A 55 3.872 -6.130 -7.942 1.00 0.00 O ATOM 873 CB ARG A 55 3.084 -8.711 -7.230 1.00 0.00 C ATOM 874 CG ARG A 55 2.685 -10.181 -6.985 1.00 0.00 C ATOM 875 CD ARG A 55 2.495 -10.982 -8.288 1.00 0.00 C ATOM 876 NE ARG A 55 1.573 -10.317 -9.233 1.00 0.00 N ATOM 877 CZ ARG A 55 0.805 -10.928 -10.144 1.00 0.00 C ATOM 878 NH1 ARG A 55 0.714 -12.253 -10.191 1.00 0.00 N ATOM 879 NH2 ARG A 55 0.095 -10.188 -10.986 1.00 0.00 N ATOM 0 H ARG A 55 5.470 -9.107 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 55 4.213 -8.919 -9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.215 -8.223 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.258 -8.208 -7.732 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.452 -10.663 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.759 -10.209 -6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.463 -11.123 -8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.111 -11.974 -8.048 1.00 0.00 H new ATOM 0 HE ARG A 55 1.517 -9.300 -9.187 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.235 -12.824 -9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.123 -12.699 -10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.140 -9.170 -10.933 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.495 -10.637 -11.686 1.00 0.00 H new ATOM 893 N THR A 56 5.916 -6.722 -8.719 1.00 0.00 N ATOM 894 CA THR A 56 6.477 -5.368 -8.833 1.00 0.00 C ATOM 895 C THR A 56 5.633 -4.462 -9.759 1.00 0.00 C ATOM 896 O THR A 56 5.495 -3.265 -9.498 1.00 0.00 O ATOM 897 CB THR A 56 7.947 -5.462 -9.333 1.00 0.00 C ATOM 898 OG1 THR A 56 8.703 -6.281 -8.423 1.00 0.00 O ATOM 899 CG2 THR A 56 8.621 -4.092 -9.467 1.00 0.00 C ATOM 0 H THR A 56 6.549 -7.448 -9.055 1.00 0.00 H new ATOM 0 HA THR A 56 6.456 -4.905 -7.846 1.00 0.00 H new ATOM 0 HB THR A 56 7.924 -5.905 -10.329 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.630 -6.345 -8.734 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.644 -4.223 -9.819 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.067 -3.482 -10.180 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.632 -3.596 -8.497 1.00 0.00 H new ATOM 907 N ASP A 57 5.038 -5.051 -10.812 1.00 0.00 N ATOM 908 CA ASP A 57 4.164 -4.312 -11.752 1.00 0.00 C ATOM 909 C ASP A 57 2.881 -3.836 -11.043 1.00 0.00 C ATOM 910 O ASP A 57 2.416 -2.704 -11.248 1.00 0.00 O ATOM 911 CB ASP A 57 3.804 -5.202 -12.964 1.00 0.00 C ATOM 912 CG ASP A 57 3.058 -4.435 -14.065 1.00 0.00 C ATOM 913 OD1 ASP A 57 3.723 -3.738 -14.855 1.00 0.00 O ATOM 914 OD2 ASP A 57 1.812 -4.502 -14.138 1.00 0.00 O ATOM 0 H ASP A 57 5.145 -6.040 -11.037 1.00 0.00 H new ATOM 0 HA ASP A 57 4.707 -3.436 -12.107 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.717 -5.629 -13.380 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.188 -6.035 -12.627 1.00 0.00 H new ATOM 919 N ASP A 58 2.334 -4.725 -10.205 1.00 0.00 N ATOM 920 CA ASP A 58 1.130 -4.459 -9.399 1.00 0.00 C ATOM 921 C ASP A 58 1.427 -3.351 -8.382 1.00 0.00 C ATOM 922 O ASP A 58 0.560 -2.533 -8.077 1.00 0.00 O ATOM 923 CB ASP A 58 0.675 -5.743 -8.651 1.00 0.00 C ATOM 924 CG ASP A 58 0.499 -6.967 -9.562 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.506 -7.447 -10.123 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.627 -7.483 -9.695 1.00 0.00 O ATOM 0 H ASP A 58 2.717 -5.660 -10.064 1.00 0.00 H new ATOM 0 HA ASP A 58 0.328 -4.142 -10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.407 -5.980 -7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.269 -5.541 -8.145 1.00 0.00 H new ATOM 931 N ALA A 59 2.675 -3.362 -7.861 1.00 0.00 N ATOM 932 CA ALA A 59 3.183 -2.342 -6.936 1.00 0.00 C ATOM 933 C ALA A 59 3.174 -0.956 -7.595 1.00 0.00 C ATOM 934 O ALA A 59 2.683 -0.002 -7.001 1.00 0.00 O ATOM 935 CB ALA A 59 4.597 -2.714 -6.461 1.00 0.00 C ATOM 0 H ALA A 59 3.358 -4.088 -8.077 1.00 0.00 H new ATOM 0 HA ALA A 59 2.526 -2.303 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.963 -1.950 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.568 -3.676 -5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.264 -2.780 -7.321 1.00 0.00 H new ATOM 941 N ILE A 60 3.695 -0.882 -8.842 1.00 0.00 N ATOM 942 CA ILE A 60 3.744 0.366 -9.650 1.00 0.00 C ATOM 943 C ILE A 60 2.339 0.984 -9.794 1.00 0.00 C ATOM 944 O ILE A 60 2.161 2.201 -9.646 1.00 0.00 O ATOM 945 CB ILE A 60 4.356 0.089 -11.088 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.821 -0.445 -10.994 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.303 1.346 -11.991 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.812 0.542 -10.408 1.00 0.00 C ATOM 0 H ILE A 60 4.096 -1.688 -9.321 1.00 0.00 H new ATOM 0 HA ILE A 60 4.388 1.072 -9.125 1.00 0.00 H new ATOM 0 HB ILE A 60 3.736 -0.682 -11.546 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.826 -1.350 -10.387 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.156 -0.728 -11.992 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.732 1.112 -12.965 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.267 1.660 -12.116 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.873 2.151 -11.528 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.803 0.089 -10.380 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.840 1.439 -11.026 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.506 0.808 -9.396 1.00 0.00 H new ATOM 960 N ASP A 61 1.353 0.106 -10.057 1.00 0.00 N ATOM 961 CA ASP A 61 -0.061 0.489 -10.233 1.00 0.00 C ATOM 962 C ASP A 61 -0.635 1.068 -8.918 1.00 0.00 C ATOM 963 O ASP A 61 -1.302 2.107 -8.923 1.00 0.00 O ATOM 964 CB ASP A 61 -0.880 -0.752 -10.689 1.00 0.00 C ATOM 965 CG ASP A 61 -2.356 -0.437 -11.023 1.00 0.00 C ATOM 966 OD1 ASP A 61 -3.217 -0.495 -10.119 1.00 0.00 O ATOM 967 OD2 ASP A 61 -2.660 -0.149 -12.200 1.00 0.00 O ATOM 0 H ASP A 61 1.516 -0.896 -10.154 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.130 1.262 -10.998 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.403 -1.187 -11.567 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.848 -1.506 -9.902 1.00 0.00 H new ATOM 972 N THR A 62 -0.340 0.374 -7.799 1.00 0.00 N ATOM 973 CA THR A 62 -0.819 0.736 -6.453 1.00 0.00 C ATOM 974 C THR A 62 -0.225 2.073 -5.977 1.00 0.00 C ATOM 975 O THR A 62 -0.927 2.895 -5.377 1.00 0.00 O ATOM 976 CB THR A 62 -0.481 -0.414 -5.442 1.00 0.00 C ATOM 977 OG1 THR A 62 -1.045 -1.636 -5.928 1.00 0.00 O ATOM 978 CG2 THR A 62 -1.023 -0.150 -4.030 1.00 0.00 C ATOM 0 H THR A 62 0.244 -0.462 -7.807 1.00 0.00 H new ATOM 0 HA THR A 62 -1.900 0.864 -6.501 1.00 0.00 H new ATOM 0 HB THR A 62 0.605 -0.472 -5.369 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.499 -1.978 -6.666 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.757 -0.981 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.590 0.771 -3.640 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.108 -0.052 -4.069 1.00 0.00 H new ATOM 986 N TYR A 63 1.066 2.284 -6.267 1.00 0.00 N ATOM 987 CA TYR A 63 1.766 3.531 -5.932 1.00 0.00 C ATOM 988 C TYR A 63 1.202 4.699 -6.740 1.00 0.00 C ATOM 989 O TYR A 63 1.034 5.776 -6.198 1.00 0.00 O ATOM 990 CB TYR A 63 3.287 3.411 -6.169 1.00 0.00 C ATOM 991 CG TYR A 63 4.011 2.462 -5.209 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.764 2.505 -3.838 1.00 0.00 C ATOM 993 CD2 TYR A 63 4.947 1.532 -5.668 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.425 1.668 -2.974 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.612 0.702 -4.804 1.00 0.00 C ATOM 996 CZ TYR A 63 5.342 0.772 -3.467 1.00 0.00 C ATOM 997 OH TYR A 63 6.027 -0.030 -2.609 1.00 0.00 O ATOM 0 H TYR A 63 1.653 1.597 -6.739 1.00 0.00 H new ATOM 0 HA TYR A 63 1.604 3.720 -4.871 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.456 3.071 -7.191 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.733 4.402 -6.085 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.042 3.208 -3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.151 1.466 -6.727 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.225 1.714 -1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.343 -0.001 -5.177 1.00 0.00 H new ATOM 0 HH TYR A 63 6.754 -0.478 -3.090 1.00 0.00 H new ATOM 1007 N ALA A 64 0.944 4.461 -8.041 1.00 0.00 N ATOM 1008 CA ALA A 64 0.352 5.455 -8.958 1.00 0.00 C ATOM 1009 C ALA A 64 -1.039 5.920 -8.482 1.00 0.00 C ATOM 1010 O ALA A 64 -1.347 7.119 -8.512 1.00 0.00 O ATOM 1011 CB ALA A 64 0.286 4.868 -10.369 1.00 0.00 C ATOM 0 H ALA A 64 1.142 3.566 -8.489 1.00 0.00 H new ATOM 0 HA ALA A 64 0.989 6.339 -8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.151 5.600 -11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.292 4.616 -10.706 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.330 3.969 -10.361 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.868 4.954 -8.041 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.178 5.238 -7.421 1.00 0.00 C ATOM 1019 C GLN A 65 -2.989 6.043 -6.123 1.00 0.00 C ATOM 1020 O GLN A 65 -3.753 6.973 -5.827 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.941 3.917 -7.130 1.00 0.00 C ATOM 1022 CG GLN A 65 -4.451 3.171 -8.378 1.00 0.00 C ATOM 1023 CD GLN A 65 -5.515 3.944 -9.176 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -5.590 3.830 -10.397 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.381 4.689 -8.494 1.00 0.00 N ATOM 0 H GLN A 65 -1.650 3.959 -8.104 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.770 5.831 -8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.284 3.251 -6.571 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.792 4.141 -6.486 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.606 2.957 -9.032 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.867 2.212 -8.071 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.298 4.768 -7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.128 5.181 -8.985 1.00 0.00 H new ATOM 1034 N GLY A 66 -1.954 5.651 -5.364 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.569 6.330 -4.138 1.00 0.00 C ATOM 1036 C GLY A 66 -1.181 7.781 -4.360 1.00 0.00 C ATOM 1037 O GLY A 66 -1.548 8.630 -3.569 1.00 0.00 O ATOM 0 H GLY A 66 -1.365 4.850 -5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.396 6.285 -3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.731 5.801 -3.684 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.436 8.041 -5.444 1.00 0.00 N ATOM 1042 CA ILE A 67 0.058 9.383 -5.818 1.00 0.00 C ATOM 1043 C ILE A 67 -1.101 10.376 -5.986 1.00 0.00 C ATOM 1044 O ILE A 67 -1.048 11.487 -5.451 1.00 0.00 O ATOM 1045 CB ILE A 67 0.918 9.297 -7.144 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.285 8.584 -6.868 1.00 0.00 C ATOM 1047 CG2 ILE A 67 1.144 10.683 -7.807 1.00 0.00 C ATOM 1048 CD1 ILE A 67 3.102 8.276 -8.108 1.00 0.00 C ATOM 0 H ILE A 67 -0.152 7.314 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 67 0.692 9.750 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 67 0.343 8.702 -7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.879 9.213 -6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.092 7.652 -6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.740 10.561 -8.712 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.181 11.125 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.670 11.337 -7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.030 7.783 -7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.532 7.619 -8.765 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.332 9.204 -8.632 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.158 9.932 -6.691 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.353 10.751 -6.978 1.00 0.00 C ATOM 1062 C GLU A 68 -4.030 11.209 -5.679 1.00 0.00 C ATOM 1063 O GLU A 68 -4.339 12.387 -5.504 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.355 9.936 -7.832 1.00 0.00 C ATOM 1065 CG GLU A 68 -3.774 9.388 -9.153 1.00 0.00 C ATOM 1066 CD GLU A 68 -4.784 8.542 -9.948 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -4.875 7.315 -9.711 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.504 9.101 -10.801 1.00 0.00 O ATOM 0 H GLU A 68 -2.208 8.990 -7.080 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.037 11.636 -7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.723 9.100 -7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.214 10.567 -8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.441 10.222 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.894 8.783 -8.933 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.205 10.251 -4.758 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.875 10.498 -3.474 1.00 0.00 C ATOM 1077 C VAL A 69 -3.917 11.132 -2.444 1.00 0.00 C ATOM 1078 O VAL A 69 -4.363 11.702 -1.470 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.568 9.209 -2.906 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.661 8.704 -3.879 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.551 8.092 -2.593 1.00 0.00 C ATOM 0 H VAL A 69 -3.888 9.289 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.668 11.220 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.041 9.483 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.130 7.810 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.415 9.480 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.209 8.466 -4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.076 7.220 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.020 7.817 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.837 8.448 -1.850 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.598 11.004 -2.658 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.575 11.584 -1.758 1.00 0.00 C ATOM 1093 C ALA A 70 -1.476 13.107 -1.923 1.00 0.00 C ATOM 1094 O ALA A 70 -1.461 13.851 -0.939 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.215 10.937 -2.007 1.00 0.00 C ATOM 0 H ALA A 70 -2.207 10.500 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.884 11.378 -0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.525 11.375 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.283 9.865 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.085 11.108 -3.041 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.399 13.555 -3.185 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.255 14.985 -3.516 1.00 0.00 C ATOM 1103 C ARG A 71 -2.536 15.776 -3.193 1.00 0.00 C ATOM 1104 O ARG A 71 -2.452 16.944 -2.791 1.00 0.00 O ATOM 1105 CB ARG A 71 -0.853 15.178 -5.004 1.00 0.00 C ATOM 1106 CG ARG A 71 -1.802 14.538 -6.037 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.414 14.868 -7.483 1.00 0.00 C ATOM 1108 NE ARG A 71 -1.527 16.316 -7.754 1.00 0.00 N ATOM 1109 CZ ARG A 71 -0.885 16.980 -8.726 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -0.029 16.354 -9.529 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -1.101 18.278 -8.878 1.00 0.00 N ATOM 0 H ARG A 71 -1.434 12.944 -4.001 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.454 15.381 -2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.789 16.247 -5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.145 14.765 -5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.801 13.456 -5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.820 14.882 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.392 14.540 -7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.057 14.317 -8.169 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.146 16.857 -7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.146 15.356 -9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.452 16.872 -10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.751 18.763 -8.259 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.618 18.793 -9.614 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.713 15.153 -3.383 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.003 15.825 -3.126 1.00 0.00 C ATOM 1127 C GLU A 72 -5.485 15.621 -1.669 1.00 0.00 C ATOM 1128 O GLU A 72 -5.753 16.594 -0.958 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.076 15.322 -4.127 1.00 0.00 C ATOM 1130 CG GLU A 72 -5.669 15.398 -5.617 1.00 0.00 C ATOM 1131 CD GLU A 72 -5.250 16.808 -6.080 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -6.134 17.658 -6.308 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -4.037 17.081 -6.205 1.00 0.00 O ATOM 0 H GLU A 72 -3.799 14.191 -3.712 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.851 16.895 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.320 14.287 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.986 15.905 -3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.844 14.708 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.504 15.059 -6.229 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.580 14.346 -1.236 1.00 0.00 N ATOM 1141 CA GLU A 73 -6.209 13.966 0.059 1.00 0.00 C ATOM 1142 C GLU A 73 -5.181 13.860 1.204 1.00 0.00 C ATOM 1143 O GLU A 73 -5.441 14.321 2.323 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.967 12.614 -0.095 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.918 12.532 -1.307 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.996 13.633 -1.322 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -10.000 13.516 -0.589 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -8.843 14.627 -2.063 1.00 0.00 O ATOM 0 H GLU A 73 -5.226 13.550 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.909 14.759 0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.234 11.811 -0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.543 12.433 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.331 12.597 -2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.406 11.557 -1.310 1.00 0.00 H new ATOM 1155 N GLY A 74 -4.021 13.246 0.910 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.957 13.035 1.903 1.00 0.00 C ATOM 1157 C GLY A 74 -2.093 14.280 2.091 1.00 0.00 C ATOM 1158 O GLY A 74 -2.595 15.406 1.983 1.00 0.00 O ATOM 0 H GLY A 74 -3.797 12.885 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.403 12.756 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.328 12.202 1.589 1.00 0.00 H new ATOM 1162 N THR A 75 -0.813 14.094 2.435 1.00 0.00 N ATOM 1163 CA THR A 75 0.177 15.197 2.481 1.00 0.00 C ATOM 1164 C THR A 75 1.335 14.948 1.499 1.00 0.00 C ATOM 1165 O THR A 75 1.400 13.894 0.847 1.00 0.00 O ATOM 1166 CB THR A 75 0.736 15.386 3.931 1.00 0.00 C ATOM 1167 OG1 THR A 75 1.340 14.168 4.401 1.00 0.00 O ATOM 1168 CG2 THR A 75 -0.360 15.840 4.922 1.00 0.00 C ATOM 0 H THR A 75 -0.428 13.184 2.689 1.00 0.00 H new ATOM 0 HA THR A 75 -0.337 16.110 2.182 1.00 0.00 H new ATOM 0 HB THR A 75 1.490 16.172 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.796 13.403 4.120 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.074 15.958 5.915 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.777 16.792 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.151 15.091 4.958 1.00 0.00 H new ATOM 1176 N GLN A 76 2.251 15.941 1.406 1.00 0.00 N ATOM 1177 CA GLN A 76 3.488 15.848 0.603 1.00 0.00 C ATOM 1178 C GLN A 76 4.374 14.675 1.079 1.00 0.00 C ATOM 1179 O GLN A 76 5.105 14.086 0.283 1.00 0.00 O ATOM 1180 CB GLN A 76 4.267 17.196 0.674 1.00 0.00 C ATOM 1181 CG GLN A 76 5.600 17.242 -0.109 1.00 0.00 C ATOM 1182 CD GLN A 76 5.434 17.004 -1.614 1.00 0.00 C ATOM 1183 OE1 GLN A 76 5.484 15.869 -2.086 1.00 0.00 O ATOM 1184 NE2 GLN A 76 5.245 18.071 -2.377 1.00 0.00 N ATOM 0 H GLN A 76 2.149 16.833 1.890 1.00 0.00 H new ATOM 0 HA GLN A 76 3.215 15.653 -0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.619 17.989 0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.474 17.420 1.720 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.071 18.213 0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.277 16.490 0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.208 18.999 -1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.136 17.964 -3.386 1.00 0.00 H new ATOM 1193 N LYS A 77 4.284 14.356 2.386 1.00 0.00 N ATOM 1194 CA LYS A 77 4.958 13.192 2.991 1.00 0.00 C ATOM 1195 C LYS A 77 4.582 11.891 2.250 1.00 0.00 C ATOM 1196 O LYS A 77 5.457 11.135 1.813 1.00 0.00 O ATOM 1197 CB LYS A 77 4.586 13.103 4.502 1.00 0.00 C ATOM 1198 CG LYS A 77 4.960 11.766 5.180 1.00 0.00 C ATOM 1199 CD LYS A 77 4.757 11.762 6.708 1.00 0.00 C ATOM 1200 CE LYS A 77 5.042 10.379 7.323 1.00 0.00 C ATOM 1201 NZ LYS A 77 6.383 9.852 6.940 1.00 0.00 N ATOM 0 H LYS A 77 3.739 14.902 3.053 1.00 0.00 H new ATOM 0 HA LYS A 77 6.037 13.319 2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.082 13.915 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.513 13.261 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.361 10.968 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.003 11.538 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.413 12.504 7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.734 12.058 6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.978 10.447 8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.273 9.676 7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.665 9.104 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.340 9.460 5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.080 10.623 6.969 1.00 0.00 H new ATOM 1215 N ASP A 78 3.264 11.689 2.075 1.00 0.00 N ATOM 1216 CA ASP A 78 2.710 10.503 1.400 1.00 0.00 C ATOM 1217 C ASP A 78 3.144 10.489 -0.065 1.00 0.00 C ATOM 1218 O ASP A 78 3.615 9.466 -0.573 1.00 0.00 O ATOM 1219 CB ASP A 78 1.163 10.504 1.485 1.00 0.00 C ATOM 1220 CG ASP A 78 0.636 10.403 2.919 1.00 0.00 C ATOM 1221 OD1 ASP A 78 0.465 9.272 3.427 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.400 11.457 3.552 1.00 0.00 O ATOM 0 H ASP A 78 2.553 12.345 2.398 1.00 0.00 H new ATOM 0 HA ASP A 78 3.089 9.611 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.781 11.417 1.028 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.773 9.669 0.902 1.00 0.00 H new ATOM 1227 N LEU A 79 2.996 11.663 -0.713 1.00 0.00 N ATOM 1228 CA LEU A 79 3.249 11.840 -2.149 1.00 0.00 C ATOM 1229 C LEU A 79 4.684 11.436 -2.514 1.00 0.00 C ATOM 1230 O LEU A 79 4.891 10.608 -3.399 1.00 0.00 O ATOM 1231 CB LEU A 79 2.969 13.310 -2.569 1.00 0.00 C ATOM 1232 CG LEU A 79 3.098 13.614 -4.096 1.00 0.00 C ATOM 1233 CD1 LEU A 79 2.111 12.757 -4.914 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.901 15.118 -4.381 1.00 0.00 C ATOM 0 H LEU A 79 2.695 12.519 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 79 2.570 11.185 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.961 13.575 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.657 13.960 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 79 4.108 13.348 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.221 12.987 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.323 11.701 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.091 12.976 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.996 15.301 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.910 15.425 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.658 15.692 -3.846 1.00 0.00 H new ATOM 1246 N SER A 80 5.652 11.993 -1.772 1.00 0.00 N ATOM 1247 CA SER A 80 7.084 11.771 -2.001 1.00 0.00 C ATOM 1248 C SER A 80 7.463 10.289 -1.815 1.00 0.00 C ATOM 1249 O SER A 80 8.236 9.754 -2.604 1.00 0.00 O ATOM 1250 CB SER A 80 7.909 12.669 -1.058 1.00 0.00 C ATOM 1251 OG SER A 80 7.612 14.041 -1.270 1.00 0.00 O ATOM 0 H SER A 80 5.459 12.617 -0.988 1.00 0.00 H new ATOM 0 HA SER A 80 7.311 12.036 -3.034 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.699 12.404 -0.022 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.972 12.494 -1.222 1.00 0.00 H new ATOM 0 HG SER A 80 6.774 14.269 -0.815 1.00 0.00 H new ATOM 1257 N GLU A 81 6.883 9.633 -0.782 1.00 0.00 N ATOM 1258 CA GLU A 81 7.157 8.209 -0.473 1.00 0.00 C ATOM 1259 C GLU A 81 6.645 7.262 -1.570 1.00 0.00 C ATOM 1260 O GLU A 81 7.303 6.275 -1.888 1.00 0.00 O ATOM 1261 CB GLU A 81 6.530 7.815 0.887 1.00 0.00 C ATOM 1262 CG GLU A 81 7.209 8.464 2.103 1.00 0.00 C ATOM 1263 CD GLU A 81 6.624 7.981 3.433 1.00 0.00 C ATOM 1264 OE1 GLU A 81 6.797 6.789 3.765 1.00 0.00 O ATOM 1265 OE2 GLU A 81 6.011 8.784 4.164 1.00 0.00 O ATOM 0 H GLU A 81 6.218 10.071 -0.145 1.00 0.00 H new ATOM 0 HA GLU A 81 8.241 8.103 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.476 8.092 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.575 6.731 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.276 8.244 2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.105 9.547 2.037 1.00 0.00 H new ATOM 1272 N LEU A 82 5.466 7.560 -2.116 1.00 0.00 N ATOM 1273 CA LEU A 82 4.817 6.722 -3.150 1.00 0.00 C ATOM 1274 C LEU A 82 5.510 6.863 -4.512 1.00 0.00 C ATOM 1275 O LEU A 82 5.682 5.873 -5.239 1.00 0.00 O ATOM 1276 CB LEU A 82 3.329 7.104 -3.231 1.00 0.00 C ATOM 1277 CG LEU A 82 2.504 6.714 -1.963 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.209 7.513 -1.865 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.215 5.200 -1.942 1.00 0.00 C ATOM 0 H LEU A 82 4.926 8.387 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 82 4.907 5.672 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.248 8.180 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.887 6.621 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 82 3.109 6.962 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.663 7.213 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.441 8.577 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.596 7.321 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.640 4.952 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.645 4.926 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.156 4.650 -1.931 1.00 0.00 H new ATOM 1291 N GLN A 83 5.919 8.103 -4.831 1.00 0.00 N ATOM 1292 CA GLN A 83 6.700 8.412 -6.041 1.00 0.00 C ATOM 1293 C GLN A 83 8.095 7.771 -5.945 1.00 0.00 C ATOM 1294 O GLN A 83 8.624 7.276 -6.939 1.00 0.00 O ATOM 1295 CB GLN A 83 6.815 9.948 -6.238 1.00 0.00 C ATOM 1296 CG GLN A 83 5.465 10.667 -6.468 1.00 0.00 C ATOM 1297 CD GLN A 83 5.559 12.195 -6.573 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.783 12.828 -7.293 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.463 12.805 -5.825 1.00 0.00 N ATOM 0 H GLN A 83 5.717 8.921 -4.256 1.00 0.00 H new ATOM 0 HA GLN A 83 6.184 7.997 -6.907 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.297 10.379 -5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.467 10.145 -7.089 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.015 10.281 -7.383 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.791 10.414 -5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.093 12.258 -5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.530 13.823 -5.835 1.00 0.00 H new ATOM 1308 N ASP A 84 8.655 7.762 -4.717 1.00 0.00 N ATOM 1309 CA ASP A 84 9.973 7.171 -4.425 1.00 0.00 C ATOM 1310 C ASP A 84 9.926 5.639 -4.526 1.00 0.00 C ATOM 1311 O ASP A 84 10.814 5.005 -5.113 1.00 0.00 O ATOM 1312 CB ASP A 84 10.451 7.577 -3.009 1.00 0.00 C ATOM 1313 CG ASP A 84 11.815 6.977 -2.637 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.848 7.538 -3.061 1.00 0.00 O ATOM 1315 OD2 ASP A 84 11.861 5.934 -1.942 1.00 0.00 O ATOM 0 H ASP A 84 8.201 8.167 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 84 10.675 7.552 -5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.511 8.664 -2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.709 7.259 -2.277 1.00 0.00 H new ATOM 1320 N ALA A 85 8.887 5.057 -3.935 1.00 0.00 N ATOM 1321 CA ALA A 85 8.749 3.610 -3.820 1.00 0.00 C ATOM 1322 C ALA A 85 8.506 2.959 -5.188 1.00 0.00 C ATOM 1323 O ALA A 85 8.983 1.845 -5.445 1.00 0.00 O ATOM 1324 CB ALA A 85 7.654 3.256 -2.805 1.00 0.00 C ATOM 0 H ALA A 85 8.114 5.578 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 85 9.688 3.202 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.563 2.172 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.916 3.666 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.704 3.678 -3.133 1.00 0.00 H new ATOM 1330 N LYS A 86 7.764 3.657 -6.069 1.00 0.00 N ATOM 1331 CA LYS A 86 7.580 3.189 -7.450 1.00 0.00 C ATOM 1332 C LYS A 86 8.849 3.366 -8.287 1.00 0.00 C ATOM 1333 O LYS A 86 9.144 2.485 -9.074 1.00 0.00 O ATOM 1334 CB LYS A 86 6.371 3.841 -8.164 1.00 0.00 C ATOM 1335 CG LYS A 86 6.503 5.343 -8.458 1.00 0.00 C ATOM 1336 CD LYS A 86 5.406 5.865 -9.410 1.00 0.00 C ATOM 1337 CE LYS A 86 5.447 5.193 -10.796 1.00 0.00 C ATOM 1338 NZ LYS A 86 4.556 5.869 -11.767 1.00 0.00 N ATOM 0 H LYS A 86 7.290 4.533 -5.851 1.00 0.00 H new ATOM 0 HA LYS A 86 7.364 2.124 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.203 3.318 -9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.483 3.686 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.458 5.897 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.481 5.538 -8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.429 5.695 -8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.519 6.942 -9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.469 5.203 -11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.153 4.148 -10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.614 5.386 -12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.576 5.837 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.852 6.860 -11.878 1.00 0.00 H new ATOM 1352 N LEU A 87 9.615 4.488 -8.127 1.00 0.00 N ATOM 1353 CA LEU A 87 10.786 4.745 -9.007 1.00 0.00 C ATOM 1354 C LEU A 87 11.889 3.701 -8.800 1.00 0.00 C ATOM 1355 O LEU A 87 12.601 3.379 -9.747 1.00 0.00 O ATOM 1356 CB LEU A 87 11.313 6.222 -8.948 1.00 0.00 C ATOM 1357 CG LEU A 87 11.755 6.849 -7.579 1.00 0.00 C ATOM 1358 CD1 LEU A 87 13.088 6.281 -7.038 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.841 8.388 -7.680 1.00 0.00 C ATOM 0 H LEU A 87 9.447 5.204 -7.420 1.00 0.00 H new ATOM 0 HA LEU A 87 10.427 4.628 -10.030 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.166 6.288 -9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.531 6.861 -9.358 1.00 0.00 H new ATOM 0 HG LEU A 87 10.981 6.570 -6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.330 6.761 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.991 5.206 -6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.884 6.475 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.149 8.799 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.570 8.662 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.865 8.790 -7.950 1.00 0.00 H new ATOM 1371 N LYS A 88 12.022 3.178 -7.561 1.00 0.00 N ATOM 1372 CA LYS A 88 12.943 2.051 -7.282 1.00 0.00 C ATOM 1373 C LYS A 88 12.372 0.731 -7.835 1.00 0.00 C ATOM 1374 O LYS A 88 13.131 -0.116 -8.320 1.00 0.00 O ATOM 1375 CB LYS A 88 13.264 1.921 -5.769 1.00 0.00 C ATOM 1376 CG LYS A 88 12.043 1.717 -4.852 1.00 0.00 C ATOM 1377 CD LYS A 88 12.425 1.346 -3.401 1.00 0.00 C ATOM 1378 CE LYS A 88 11.193 1.225 -2.489 1.00 0.00 C ATOM 1379 NZ LYS A 88 10.137 0.350 -3.063 1.00 0.00 N ATOM 0 H LYS A 88 11.510 3.513 -6.745 1.00 0.00 H new ATOM 0 HA LYS A 88 13.881 2.266 -7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.946 1.082 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.793 2.819 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.448 2.630 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.413 0.931 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.969 0.402 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.099 2.103 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.500 0.829 -1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.779 2.218 -2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.512 0.015 -2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.580 0.888 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.579 -0.466 -3.532 1.00 0.00 H new ATOM 1393 N ALA A 89 11.034 0.554 -7.746 1.00 0.00 N ATOM 1394 CA ALA A 89 10.344 -0.625 -8.303 1.00 0.00 C ATOM 1395 C ALA A 89 10.480 -0.709 -9.848 1.00 0.00 C ATOM 1396 O ALA A 89 10.543 -1.808 -10.407 1.00 0.00 O ATOM 1397 CB ALA A 89 8.877 -0.642 -7.849 1.00 0.00 C ATOM 0 H ALA A 89 10.410 1.219 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 89 10.831 -1.518 -7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.377 -1.516 -8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.833 -0.684 -6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.378 0.262 -8.198 1.00 0.00 H new