USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 614 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 31 CYS SG : rot 140:sc= 0.826 USER MOD Set 1.2: A 33 HIS : no HE2:sc= 1.14 K(o=2,f=-7.8!) USER MOD Set 2.1: A 5 TYR OH : rot 56:sc= 0.00323 USER MOD Set 2.2: A 34 CYS SG : rot 109:sc= 0.699 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.549 USER MOD Single : A 28 THR OG1 : rot 151:sc= 0.429 USER MOD Single : A 35 GLN : amide:sc= 0.69 K(o=0.69,f=-0.027) USER MOD Single : A 38 GLN : amide:sc= 0.873 K(o=0.87,f=-0.023) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -0.754 K(o=-0.75,f=-1.6) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.52) USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.11) USER MOD Single : A 75 THR OG1 : rot 103:sc= 1.17 USER MOD Single : A 93 SER OG : rot 180:sc=-0.00254 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 95:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 9.328 -2.336 6.774 1.00 0.00 N ATOM 70 CA TYR A 5 8.505 -3.349 6.098 1.00 0.00 C ATOM 71 C TYR A 5 8.460 -4.715 6.816 1.00 0.00 C ATOM 72 O TYR A 5 9.350 -5.053 7.597 1.00 0.00 O ATOM 73 CB TYR A 5 8.984 -3.519 4.653 1.00 0.00 C ATOM 74 CG TYR A 5 8.421 -2.513 3.679 1.00 0.00 C ATOM 75 CD1 TYR A 5 9.057 -1.282 3.464 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.266 -2.849 2.957 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.567 -0.401 2.483 1.00 0.00 C ATOM 78 CE2 TYR A 5 6.747 -1.961 1.997 1.00 0.00 C ATOM 79 CZ TYR A 5 7.424 -0.749 1.729 1.00 0.00 C ATOM 80 OH TYR A 5 6.992 0.066 0.730 1.00 0.00 O ATOM 0 HA TYR A 5 7.481 -2.977 6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.072 -3.452 4.635 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.721 -4.520 4.313 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.922 -1.011 4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.773 -3.793 3.139 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.064 0.541 2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.837 -2.204 1.468 1.00 0.00 H new ATOM 0 HH TYR A 5 7.718 0.208 0.087 1.00 0.00 H new ATOM 89 N SER A 6 7.434 -5.521 6.525 1.00 0.00 N ATOM 90 CA SER A 6 7.209 -6.833 7.146 1.00 0.00 C ATOM 91 C SER A 6 7.160 -7.981 6.122 1.00 0.00 C ATOM 92 O SER A 6 6.343 -7.977 5.201 1.00 0.00 O ATOM 93 CB SER A 6 5.902 -6.825 7.953 1.00 0.00 C ATOM 94 OG SER A 6 5.994 -5.943 9.063 1.00 0.00 O ATOM 0 H SER A 6 6.722 -5.276 5.837 1.00 0.00 H new ATOM 0 HA SER A 6 8.060 -7.011 7.803 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.076 -6.521 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.680 -7.833 8.303 1.00 0.00 H new ATOM 0 HG SER A 6 5.150 -5.954 9.560 1.00 0.00 H new ATOM 99 N ALA A 7 8.006 -9.000 6.301 1.00 0.00 N ATOM 100 CA ALA A 7 7.974 -10.235 5.502 1.00 0.00 C ATOM 101 C ALA A 7 6.852 -11.201 5.940 1.00 0.00 C ATOM 102 O ALA A 7 6.361 -11.985 5.125 1.00 0.00 O ATOM 103 CB ALA A 7 9.355 -10.895 5.598 1.00 0.00 C ATOM 0 H ALA A 7 8.740 -8.994 7.010 1.00 0.00 H new ATOM 0 HA ALA A 7 7.746 -9.983 4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.360 -11.815 5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.112 -10.214 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.576 -11.126 6.640 1.00 0.00 H new ATOM 109 N GLU A 8 6.409 -11.116 7.198 1.00 0.00 N ATOM 110 CA GLU A 8 5.351 -11.939 7.813 1.00 0.00 C ATOM 111 C GLU A 8 3.914 -11.528 7.401 1.00 0.00 C ATOM 112 O GLU A 8 2.965 -11.628 8.188 1.00 0.00 O ATOM 113 CB GLU A 8 5.548 -11.989 9.343 1.00 0.00 C ATOM 114 CG GLU A 8 5.471 -10.623 10.052 1.00 0.00 C ATOM 115 CD GLU A 8 5.667 -10.792 11.562 1.00 0.00 C ATOM 116 OE1 GLU A 8 6.833 -10.844 12.018 1.00 0.00 O ATOM 117 OE2 GLU A 8 4.665 -10.862 12.310 1.00 0.00 O ATOM 0 H GLU A 8 6.796 -10.437 7.853 1.00 0.00 H new ATOM 0 HA GLU A 8 5.456 -12.950 7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.792 -12.647 9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.518 -12.438 9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.234 -9.955 9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.505 -10.158 9.854 1.00 0.00 H new ATOM 122 N ALA A 9 3.749 -11.045 6.167 1.00 0.00 N ATOM 123 CA ALA A 9 2.459 -10.664 5.587 1.00 0.00 C ATOM 124 C ALA A 9 1.486 -11.867 5.442 1.00 0.00 C ATOM 125 O ALA A 9 1.937 -13.021 5.358 1.00 0.00 O ATOM 126 CB ALA A 9 2.721 -10.000 4.233 1.00 0.00 C ATOM 0 H ALA A 9 4.530 -10.904 5.527 1.00 0.00 H new ATOM 0 HA ALA A 9 1.964 -9.967 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.773 -9.707 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.343 -9.116 4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.234 -10.703 3.576 1.00 0.00 H new ATOM 132 N PRO A 10 0.163 -11.609 5.360 1.00 0.00 N ATOM 133 CA PRO A 10 -0.850 -12.630 5.109 1.00 0.00 C ATOM 134 C PRO A 10 -0.753 -13.212 3.692 1.00 0.00 C ATOM 135 O PRO A 10 -0.243 -12.580 2.766 1.00 0.00 O ATOM 136 CB PRO A 10 -2.196 -11.927 5.315 1.00 0.00 C ATOM 137 CG PRO A 10 -1.879 -10.480 4.935 1.00 0.00 C ATOM 138 CD PRO A 10 -0.478 -10.311 5.507 1.00 0.00 C ATOM 0 HA PRO A 10 -0.718 -13.478 5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.976 -12.351 4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.542 -12.009 6.345 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.902 -10.326 3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.588 -9.777 5.373 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.074 -9.538 4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.516 -10.008 6.554 1.00 0.00 H new ATOM 143 N ALA A 11 -1.322 -14.409 3.523 1.00 0.00 N ATOM 144 CA ALA A 11 -1.609 -15.000 2.215 1.00 0.00 C ATOM 145 C ALA A 11 -2.875 -14.380 1.584 1.00 0.00 C ATOM 146 O ALA A 11 -3.691 -13.769 2.276 1.00 0.00 O ATOM 147 CB ALA A 11 -1.736 -16.522 2.401 1.00 0.00 C ATOM 0 H ALA A 11 -1.600 -15.003 4.304 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.797 -14.789 1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.950 -16.989 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.802 -16.919 2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.546 -16.737 3.098 1.00 0.00 H new ATOM 153 N ARG A 12 -3.080 -14.592 0.277 1.00 0.00 N ATOM 154 CA ARG A 12 -4.214 -14.047 -0.488 1.00 0.00 C ATOM 155 C ARG A 12 -5.570 -14.414 0.136 1.00 0.00 C ATOM 156 O ARG A 12 -6.461 -13.569 0.207 1.00 0.00 O ATOM 157 CB ARG A 12 -4.140 -14.537 -1.953 1.00 0.00 C ATOM 158 CG ARG A 12 -3.975 -13.415 -2.987 1.00 0.00 C ATOM 159 CD ARG A 12 -5.176 -12.464 -3.040 1.00 0.00 C ATOM 160 NE ARG A 12 -5.044 -11.513 -4.160 1.00 0.00 N ATOM 161 CZ ARG A 12 -5.675 -10.354 -4.299 1.00 0.00 C ATOM 162 NH1 ARG A 12 -6.531 -9.890 -3.408 1.00 0.00 N ATOM 163 NH2 ARG A 12 -5.430 -9.636 -5.369 1.00 0.00 N ATOM 0 H ARG A 12 -2.450 -15.158 -0.291 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.139 -12.960 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.305 -15.230 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.047 -15.096 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.077 -12.843 -2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.825 -13.856 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.096 -13.039 -3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.254 -11.917 -2.100 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.400 -11.774 -4.906 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.733 -10.429 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.990 -8.992 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.768 -9.973 -6.069 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.901 -8.741 -5.501 1.00 0.00 H new ATOM 174 N ASP A 13 -5.718 -15.650 0.618 1.00 0.00 N ATOM 175 CA ASP A 13 -6.954 -16.156 1.231 1.00 0.00 C ATOM 176 C ASP A 13 -7.204 -15.600 2.644 1.00 0.00 C ATOM 177 O ASP A 13 -8.353 -15.431 3.049 1.00 0.00 O ATOM 178 CB ASP A 13 -6.876 -17.681 1.277 1.00 0.00 C ATOM 179 CG ASP A 13 -8.232 -18.313 1.638 1.00 0.00 C ATOM 180 OD1 ASP A 13 -9.172 -18.239 0.812 1.00 0.00 O ATOM 181 OD2 ASP A 13 -8.337 -18.928 2.724 1.00 0.00 O ATOM 0 H ASP A 13 -4.969 -16.342 0.594 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.792 -15.820 0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.546 -18.057 0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.127 -17.985 2.009 1.00 0.00 H new ATOM 185 N GLU A 14 -6.136 -15.278 3.383 1.00 0.00 N ATOM 186 CA GLU A 14 -6.215 -14.638 4.705 1.00 0.00 C ATOM 187 C GLU A 14 -6.536 -13.139 4.572 1.00 0.00 C ATOM 188 O GLU A 14 -7.298 -12.596 5.374 1.00 0.00 O ATOM 189 CB GLU A 14 -4.891 -14.839 5.457 1.00 0.00 C ATOM 190 CG GLU A 14 -4.668 -16.292 5.897 1.00 0.00 C ATOM 191 CD GLU A 14 -5.709 -16.766 6.924 1.00 0.00 C ATOM 192 OE1 GLU A 14 -5.673 -16.295 8.084 1.00 0.00 O ATOM 193 OE2 GLU A 14 -6.555 -17.628 6.590 1.00 0.00 O ATOM 0 H GLU A 14 -5.179 -15.456 3.077 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.022 -15.104 5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.065 -14.528 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.876 -14.193 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.704 -16.942 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.670 -16.389 6.325 1.00 0.00 H new ATOM 198 N LEU A 15 -6.004 -12.489 3.530 1.00 0.00 N ATOM 199 CA LEU A 15 -6.307 -11.112 3.148 1.00 0.00 C ATOM 200 C LEU A 15 -7.755 -10.948 2.669 1.00 0.00 C ATOM 201 O LEU A 15 -8.408 -9.977 3.037 1.00 0.00 O ATOM 202 CB LEU A 15 -5.253 -10.697 2.105 1.00 0.00 C ATOM 203 CG LEU A 15 -5.510 -9.362 1.369 1.00 0.00 C ATOM 204 CD1 LEU A 15 -4.171 -8.786 0.899 1.00 0.00 C ATOM 205 CD2 LEU A 15 -6.408 -9.547 0.131 1.00 0.00 C ATOM 0 H LEU A 15 -5.325 -12.928 2.908 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.246 -10.444 4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.285 -10.633 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.177 -11.490 1.361 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.014 -8.693 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.343 -7.844 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.527 -8.612 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.689 -9.492 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.562 -8.583 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.928 -10.233 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.371 -9.956 0.438 1.00 0.00 H new ATOM 216 N ASP A 16 -8.291 -11.900 1.899 1.00 0.00 N ATOM 217 CA ASP A 16 -9.648 -11.847 1.333 1.00 0.00 C ATOM 218 C ASP A 16 -10.754 -11.768 2.402 1.00 0.00 C ATOM 219 O ASP A 16 -11.855 -11.295 2.126 1.00 0.00 O ATOM 220 CB ASP A 16 -9.836 -13.097 0.452 1.00 0.00 C ATOM 221 CG ASP A 16 -11.192 -13.117 -0.275 1.00 0.00 C ATOM 222 OD1 ASP A 16 -11.367 -12.333 -1.237 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.055 -13.951 0.088 1.00 0.00 O ATOM 0 H ASP A 16 -7.785 -12.748 1.645 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.743 -10.931 0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.034 -13.141 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.748 -13.989 1.072 1.00 0.00 H new ATOM 227 N ARG A 17 -10.431 -12.202 3.625 1.00 0.00 N ATOM 228 CA ARG A 17 -11.299 -12.218 4.802 1.00 0.00 C ATOM 229 C ARG A 17 -11.342 -10.865 5.541 1.00 0.00 C ATOM 230 O ARG A 17 -12.175 -10.713 6.444 1.00 0.00 O ATOM 231 CB ARG A 17 -10.814 -13.327 5.749 1.00 0.00 C ATOM 232 CG ARG A 17 -10.996 -14.729 5.139 1.00 0.00 C ATOM 233 CD ARG A 17 -10.219 -15.809 5.907 1.00 0.00 C ATOM 234 NE ARG A 17 -10.687 -15.955 7.302 1.00 0.00 N ATOM 235 CZ ARG A 17 -11.714 -16.678 7.731 1.00 0.00 C ATOM 236 NH1 ARG A 17 -12.493 -17.357 6.911 1.00 0.00 N ATOM 237 NH2 ARG A 17 -11.983 -16.724 9.020 1.00 0.00 N ATOM 0 H ARG A 17 -9.503 -12.572 3.829 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.318 -12.411 4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.762 -13.168 5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.363 -13.267 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.056 -14.984 5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.664 -14.716 4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.322 -16.763 5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.158 -15.559 5.907 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.163 -15.444 8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.316 -17.338 5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.273 -17.901 7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.404 -16.206 9.681 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.771 -17.277 9.357 1.00 0.00 H new ATOM 248 N LEU A 18 -10.476 -9.898 5.204 1.00 0.00 N ATOM 249 CA LEU A 18 -10.520 -8.547 5.806 1.00 0.00 C ATOM 250 C LEU A 18 -11.807 -7.778 5.415 1.00 0.00 C ATOM 251 O LEU A 18 -12.526 -8.179 4.496 1.00 0.00 O ATOM 252 CB LEU A 18 -9.192 -7.769 5.591 1.00 0.00 C ATOM 253 CG LEU A 18 -8.940 -7.060 4.237 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.678 -5.723 4.090 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.430 -6.790 4.096 1.00 0.00 C ATOM 0 H LEU A 18 -9.733 -10.022 4.516 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.593 -8.661 6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.124 -7.014 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.372 -8.469 5.752 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.320 -7.725 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.452 -5.288 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.752 -5.889 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.355 -5.041 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.237 -6.291 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.096 -6.153 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.887 -7.735 4.126 1.00 0.00 H new ATOM 266 N ALA A 19 -12.092 -6.663 6.101 1.00 0.00 N ATOM 267 CA ALA A 19 -13.302 -5.855 5.862 1.00 0.00 C ATOM 268 C ALA A 19 -13.097 -4.326 5.868 1.00 0.00 C ATOM 269 O ALA A 19 -13.773 -3.622 5.113 1.00 0.00 O ATOM 270 CB ALA A 19 -14.355 -6.272 6.893 1.00 0.00 C ATOM 0 H ALA A 19 -11.492 -6.293 6.838 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.625 -6.063 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.264 -5.690 6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.579 -7.332 6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.972 -6.091 7.897 1.00 0.00 H new ATOM 276 N GLY A 20 -12.187 -3.801 6.694 1.00 0.00 N ATOM 277 CA GLY A 20 -12.052 -2.353 6.916 1.00 0.00 C ATOM 278 C GLY A 20 -11.292 -1.616 5.797 1.00 0.00 C ATOM 279 O GLY A 20 -10.698 -2.267 4.928 1.00 0.00 O ATOM 0 H GLY A 20 -11.524 -4.363 7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.046 -1.917 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.536 -2.187 7.862 1.00 0.00 H new ATOM 283 N PRO A 21 -11.294 -0.266 5.819 1.00 0.00 N ATOM 284 CA PRO A 21 -10.570 0.567 4.857 1.00 0.00 C ATOM 285 C PRO A 21 -9.061 0.378 5.039 1.00 0.00 C ATOM 286 O PRO A 21 -8.466 0.803 6.031 1.00 0.00 O ATOM 287 CB PRO A 21 -11.030 2.005 5.124 1.00 0.00 C ATOM 288 CG PRO A 21 -11.445 1.991 6.595 1.00 0.00 C ATOM 289 CD PRO A 21 -11.985 0.575 6.787 1.00 0.00 C ATOM 0 HA PRO A 21 -10.778 0.299 3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.229 2.721 4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.861 2.285 4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.601 2.194 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.204 2.744 6.807 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.804 0.225 7.803 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -13.063 0.546 6.627 1.00 0.00 H new ATOM 294 N THR A 22 -8.463 -0.318 4.071 1.00 0.00 N ATOM 295 CA THR A 22 -7.078 -0.819 4.119 1.00 0.00 C ATOM 296 C THR A 22 -6.274 -0.259 2.945 1.00 0.00 C ATOM 297 O THR A 22 -6.824 0.011 1.882 1.00 0.00 O ATOM 298 CB THR A 22 -7.110 -2.360 4.108 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.792 -2.794 5.261 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.738 -3.035 4.126 1.00 0.00 C ATOM 0 H THR A 22 -8.940 -0.559 3.202 1.00 0.00 H new ATOM 0 HA THR A 22 -6.586 -0.487 5.033 1.00 0.00 H new ATOM 0 HB THR A 22 -7.594 -2.639 3.172 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.753 -2.636 5.152 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.865 -4.118 4.117 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.170 -2.729 3.247 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.200 -2.741 5.027 1.00 0.00 H new ATOM 308 N LEU A 23 -4.957 -0.143 3.107 1.00 0.00 N ATOM 309 CA LEU A 23 -4.006 0.048 2.013 1.00 0.00 C ATOM 310 C LEU A 23 -2.904 -1.013 2.131 1.00 0.00 C ATOM 311 O LEU A 23 -2.246 -1.107 3.165 1.00 0.00 O ATOM 312 CB LEU A 23 -3.441 1.480 2.071 1.00 0.00 C ATOM 313 CG LEU A 23 -2.454 1.807 0.928 1.00 0.00 C ATOM 314 CD1 LEU A 23 -3.093 1.553 -0.432 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.980 3.242 1.047 1.00 0.00 C ATOM 0 H LEU A 23 -4.511 -0.180 4.024 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.493 -0.072 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.268 2.189 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.936 1.623 3.026 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.590 1.148 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.378 1.791 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.382 0.505 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.977 2.182 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.285 3.464 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.836 3.914 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.478 3.381 2.005 1.00 0.00 H new ATOM 326 N VAL A 24 -2.713 -1.815 1.084 1.00 0.00 N ATOM 327 CA VAL A 24 -1.674 -2.851 1.024 1.00 0.00 C ATOM 328 C VAL A 24 -0.539 -2.363 0.129 1.00 0.00 C ATOM 329 O VAL A 24 -0.737 -2.176 -1.066 1.00 0.00 O ATOM 330 CB VAL A 24 -2.235 -4.205 0.530 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.151 -5.298 0.578 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.439 -4.666 1.367 1.00 0.00 C ATOM 0 H VAL A 24 -3.283 -1.765 0.239 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.294 -3.025 2.031 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.561 -4.051 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.569 -6.241 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.316 -5.011 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.800 -5.417 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.802 -5.621 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.136 -4.782 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.234 -3.923 1.301 1.00 0.00 H new ATOM 342 N GLU A 25 0.632 -2.140 0.729 1.00 0.00 N ATOM 343 CA GLU A 25 1.825 -1.585 0.086 1.00 0.00 C ATOM 344 C GLU A 25 2.903 -2.658 -0.112 1.00 0.00 C ATOM 345 O GLU A 25 3.273 -3.356 0.833 1.00 0.00 O ATOM 346 CB GLU A 25 2.350 -0.427 0.952 1.00 0.00 C ATOM 347 CG GLU A 25 3.606 0.259 0.399 1.00 0.00 C ATOM 348 CD GLU A 25 4.216 1.277 1.380 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.482 0.919 2.548 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.466 2.436 0.976 1.00 0.00 O ATOM 0 H GLU A 25 0.781 -2.350 1.716 1.00 0.00 H new ATOM 0 HA GLU A 25 1.564 -1.215 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.561 0.318 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.568 -0.806 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.352 -0.499 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.356 0.766 -0.533 1.00 0.00 H new ATOM 355 N PHE A 26 3.431 -2.752 -1.342 1.00 0.00 N ATOM 356 CA PHE A 26 4.544 -3.633 -1.709 1.00 0.00 C ATOM 357 C PHE A 26 5.836 -2.819 -1.853 1.00 0.00 C ATOM 358 O PHE A 26 5.849 -1.771 -2.503 1.00 0.00 O ATOM 359 CB PHE A 26 4.225 -4.373 -3.018 1.00 0.00 C ATOM 360 CG PHE A 26 2.793 -4.848 -3.148 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.268 -5.804 -2.258 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.959 -4.278 -4.124 1.00 0.00 C ATOM 363 CE1 PHE A 26 0.907 -6.156 -2.319 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.609 -4.648 -4.198 1.00 0.00 C ATOM 365 CZ PHE A 26 0.076 -5.567 -3.281 1.00 0.00 C ATOM 0 H PHE A 26 3.085 -2.202 -2.128 1.00 0.00 H new ATOM 0 HA PHE A 26 4.685 -4.371 -0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.451 -3.714 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.888 -5.234 -3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.912 -6.269 -1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.358 -3.554 -4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.504 -6.879 -1.625 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.024 -4.224 -4.964 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.973 -5.820 -3.317 1.00 0.00 H new ATOM 374 N GLY A 27 6.933 -3.319 -1.274 1.00 0.00 N ATOM 375 CA GLY A 27 8.240 -2.660 -1.337 1.00 0.00 C ATOM 376 C GLY A 27 9.287 -3.259 -0.404 1.00 0.00 C ATOM 377 O GLY A 27 9.115 -4.379 0.084 1.00 0.00 O ATOM 0 H GLY A 27 6.939 -4.193 -0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.611 -2.710 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.115 -1.605 -1.095 1.00 0.00 H new ATOM 381 N THR A 28 10.368 -2.510 -0.161 1.00 0.00 N ATOM 382 CA THR A 28 11.416 -2.793 0.838 1.00 0.00 C ATOM 383 C THR A 28 11.865 -1.486 1.488 1.00 0.00 C ATOM 384 O THR A 28 11.455 -0.405 1.082 1.00 0.00 O ATOM 385 CB THR A 28 12.614 -3.530 0.215 1.00 0.00 C ATOM 386 OG1 THR A 28 13.228 -2.704 -0.750 1.00 0.00 O ATOM 387 CG2 THR A 28 12.225 -4.864 -0.420 1.00 0.00 C ATOM 0 H THR A 28 10.549 -1.649 -0.677 1.00 0.00 H new ATOM 0 HA THR A 28 10.996 -3.452 1.598 1.00 0.00 H new ATOM 0 HB THR A 28 13.310 -3.753 1.024 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.183 -2.917 -0.803 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.111 -5.338 -0.843 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.792 -5.516 0.339 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.494 -4.692 -1.210 1.00 0.00 H new ATOM 395 N ASP A 29 12.727 -1.560 2.501 1.00 0.00 N ATOM 396 CA ASP A 29 13.286 -0.363 3.144 1.00 0.00 C ATOM 397 C ASP A 29 14.529 0.181 2.394 1.00 0.00 C ATOM 398 O ASP A 29 15.117 1.182 2.807 1.00 0.00 O ATOM 399 CB ASP A 29 13.583 -0.689 4.618 1.00 0.00 C ATOM 400 CG ASP A 29 13.774 0.585 5.459 1.00 0.00 C ATOM 401 OD1 ASP A 29 12.862 1.445 5.450 1.00 0.00 O ATOM 402 OD2 ASP A 29 14.816 0.701 6.150 1.00 0.00 O ATOM 0 H ASP A 29 13.057 -2.439 2.899 1.00 0.00 H new ATOM 0 HA ASP A 29 12.553 0.443 3.100 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.765 -1.278 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.481 -1.303 4.680 1.00 0.00 H new ATOM 406 N TRP A 30 14.946 -0.477 1.301 1.00 0.00 N ATOM 407 CA TRP A 30 16.253 -0.284 0.658 1.00 0.00 C ATOM 408 C TRP A 30 16.219 -0.021 -0.864 1.00 0.00 C ATOM 409 O TRP A 30 17.205 0.507 -1.388 1.00 0.00 O ATOM 410 CB TRP A 30 17.131 -1.498 1.006 1.00 0.00 C ATOM 411 CG TRP A 30 16.596 -2.862 0.699 1.00 0.00 C ATOM 412 CD1 TRP A 30 16.092 -3.731 1.607 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.546 -3.559 -0.584 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.716 -4.904 0.975 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.950 -4.841 -0.385 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.950 -3.238 -1.897 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.713 -5.734 -1.445 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.735 -4.131 -2.958 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.101 -5.371 -2.745 1.00 0.00 C ATOM 0 H TRP A 30 14.369 -1.174 0.830 1.00 0.00 H new ATOM 0 HA TRP A 30 16.673 0.641 1.054 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.080 -1.385 0.482 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.350 -1.457 2.073 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.998 -3.538 2.665 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.317 -5.712 1.453 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.432 -2.291 -2.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.239 -6.687 -1.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.060 -3.864 -3.953 1.00 0.00 H new ATOM 0 HH2 TRP A 30 15.915 -6.037 -3.575 1.00 0.00 H new ATOM 429 N CYS A 31 15.128 -0.325 -1.577 1.00 0.00 N ATOM 430 CA CYS A 31 15.002 0.002 -3.003 1.00 0.00 C ATOM 431 C CYS A 31 14.887 1.523 -3.226 1.00 0.00 C ATOM 432 O CYS A 31 14.209 2.214 -2.462 1.00 0.00 O ATOM 433 CB CYS A 31 13.804 -0.736 -3.615 1.00 0.00 C ATOM 434 SG CYS A 31 13.704 -0.336 -5.398 1.00 0.00 S ATOM 0 H CYS A 31 14.314 -0.800 -1.187 1.00 0.00 H new ATOM 0 HA CYS A 31 15.909 -0.332 -3.507 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.914 -1.812 -3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.883 -0.442 -3.111 1.00 0.00 H new ATOM 0 HG CYS A 31 13.387 -1.406 -6.066 1.00 0.00 H new ATOM 439 N GLY A 32 15.510 2.029 -4.299 1.00 0.00 N ATOM 440 CA GLY A 32 15.483 3.439 -4.705 1.00 0.00 C ATOM 441 C GLY A 32 14.097 3.943 -5.102 1.00 0.00 C ATOM 442 O GLY A 32 13.804 5.121 -4.912 1.00 0.00 O ATOM 0 H GLY A 32 16.064 1.448 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.860 4.050 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.164 3.578 -5.545 1.00 0.00 H new ATOM 446 N HIS A 33 13.209 3.065 -5.566 1.00 0.00 N ATOM 447 CA HIS A 33 11.786 3.377 -5.721 1.00 0.00 C ATOM 448 C HIS A 33 11.125 3.670 -4.361 1.00 0.00 C ATOM 449 O HIS A 33 10.418 4.668 -4.183 1.00 0.00 O ATOM 450 CB HIS A 33 11.065 2.172 -6.341 1.00 0.00 C ATOM 451 CG HIS A 33 11.547 1.671 -7.677 1.00 0.00 C ATOM 452 ND1 HIS A 33 12.123 0.444 -7.911 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.304 2.231 -8.904 1.00 0.00 C ATOM 454 CE1 HIS A 33 12.209 0.260 -9.235 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.716 1.328 -9.892 1.00 0.00 N ATOM 0 H HIS A 33 13.455 2.115 -5.846 1.00 0.00 H new ATOM 0 HA HIS A 33 11.707 4.258 -6.359 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.126 1.346 -5.633 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.010 2.429 -6.441 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.433 -0.215 -7.197 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.869 3.204 -9.079 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.616 -0.621 -9.709 1.00 0.00 H new ATOM 463 N CYS A 34 11.379 2.801 -3.384 1.00 0.00 N ATOM 464 CA CYS A 34 10.863 2.934 -2.027 1.00 0.00 C ATOM 465 C CYS A 34 11.381 4.175 -1.312 1.00 0.00 C ATOM 466 O CYS A 34 10.610 4.804 -0.599 1.00 0.00 O ATOM 467 CB CYS A 34 11.213 1.673 -1.252 1.00 0.00 C ATOM 468 SG CYS A 34 9.905 0.462 -1.595 1.00 0.00 S ATOM 0 H CYS A 34 11.959 1.972 -3.517 1.00 0.00 H new ATOM 0 HA CYS A 34 9.781 3.057 -2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.185 1.288 -1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.276 1.881 -0.184 1.00 0.00 H new ATOM 0 HG CYS A 34 10.379 -0.488 -2.345 1.00 0.00 H new ATOM 473 N GLN A 35 12.630 4.583 -1.545 1.00 0.00 N ATOM 474 CA GLN A 35 13.186 5.764 -0.873 1.00 0.00 C ATOM 475 C GLN A 35 12.430 7.050 -1.243 1.00 0.00 C ATOM 476 O GLN A 35 12.446 8.026 -0.492 1.00 0.00 O ATOM 477 CB GLN A 35 14.667 5.972 -1.223 1.00 0.00 C ATOM 478 CG GLN A 35 15.585 4.783 -0.950 1.00 0.00 C ATOM 479 CD GLN A 35 15.389 4.102 0.398 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.700 4.637 1.454 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.859 2.904 0.411 1.00 0.00 N ATOM 0 H GLN A 35 13.272 4.119 -2.188 1.00 0.00 H new ATOM 0 HA GLN A 35 13.078 5.571 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.739 6.228 -2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.037 6.830 -0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.437 4.043 -1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.619 5.120 -1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.598 2.452 -0.465 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.708 2.423 1.298 1.00 0.00 H new ATOM 488 N ALA A 36 11.758 7.034 -2.398 1.00 0.00 N ATOM 489 CA ALA A 36 10.902 8.104 -2.895 1.00 0.00 C ATOM 490 C ALA A 36 9.438 7.965 -2.442 1.00 0.00 C ATOM 491 O ALA A 36 8.806 8.966 -2.107 1.00 0.00 O ATOM 492 CB ALA A 36 11.017 8.112 -4.423 1.00 0.00 C ATOM 0 H ALA A 36 11.801 6.239 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 36 11.237 9.053 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.388 8.903 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.054 8.289 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.692 7.149 -4.817 1.00 0.00 H new ATOM 498 N ALA A 37 8.891 6.745 -2.401 1.00 0.00 N ATOM 499 CA ALA A 37 7.484 6.500 -2.068 1.00 0.00 C ATOM 500 C ALA A 37 7.214 6.389 -0.556 1.00 0.00 C ATOM 501 O ALA A 37 6.132 6.753 -0.101 1.00 0.00 O ATOM 502 CB ALA A 37 7.026 5.245 -2.814 1.00 0.00 C ATOM 0 H ALA A 37 9.417 5.894 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 37 6.905 7.366 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.980 5.044 -2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.135 5.400 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.636 4.396 -2.506 1.00 0.00 H new ATOM 508 N GLN A 38 8.190 5.929 0.229 1.00 0.00 N ATOM 509 CA GLN A 38 8.081 5.812 1.687 1.00 0.00 C ATOM 510 C GLN A 38 7.782 7.161 2.372 1.00 0.00 C ATOM 511 O GLN A 38 6.786 7.239 3.094 1.00 0.00 O ATOM 512 CB GLN A 38 9.346 5.174 2.287 1.00 0.00 C ATOM 513 CG GLN A 38 9.398 3.643 2.140 1.00 0.00 C ATOM 514 CD GLN A 38 10.692 3.076 2.737 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.766 3.142 2.154 1.00 0.00 O ATOM 516 NE2 GLN A 38 10.651 2.532 3.939 1.00 0.00 N ATOM 0 H GLN A 38 9.092 5.622 -0.134 1.00 0.00 H new ATOM 0 HA GLN A 38 7.230 5.158 1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.223 5.606 1.805 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.404 5.430 3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.538 3.197 2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.331 3.373 1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.765 2.468 4.440 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.506 2.175 4.367 1.00 0.00 H new ATOM 523 N PRO A 39 8.569 8.240 2.145 1.00 0.00 N ATOM 524 CA PRO A 39 8.258 9.555 2.706 1.00 0.00 C ATOM 525 C PRO A 39 7.014 10.182 2.061 1.00 0.00 C ATOM 526 O PRO A 39 6.432 11.096 2.640 1.00 0.00 O ATOM 527 CB PRO A 39 9.510 10.416 2.482 1.00 0.00 C ATOM 528 CG PRO A 39 10.115 9.799 1.222 1.00 0.00 C ATOM 529 CD PRO A 39 9.818 8.317 1.395 1.00 0.00 C ATOM 0 HA PRO A 39 8.015 9.477 3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.259 11.467 2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.195 10.364 3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.659 10.200 0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.186 9.991 1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.723 7.823 0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.626 7.817 1.930 1.00 0.00 H new ATOM 534 N LEU A 40 6.588 9.684 0.891 1.00 0.00 N ATOM 535 CA LEU A 40 5.360 10.130 0.229 1.00 0.00 C ATOM 536 C LEU A 40 4.151 9.682 1.043 1.00 0.00 C ATOM 537 O LEU A 40 3.368 10.530 1.476 1.00 0.00 O ATOM 538 CB LEU A 40 5.296 9.549 -1.194 1.00 0.00 C ATOM 539 CG LEU A 40 4.884 10.510 -2.315 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.666 11.353 -1.946 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.044 11.402 -2.756 1.00 0.00 C ATOM 0 H LEU A 40 7.089 8.959 0.378 1.00 0.00 H new ATOM 0 HA LEU A 40 5.356 11.218 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.277 9.142 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.596 8.713 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 40 4.600 9.882 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.417 12.016 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.820 10.698 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.890 11.948 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.709 12.068 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.390 11.994 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.862 10.781 -3.122 1.00 0.00 H new ATOM 552 N LEU A 41 4.047 8.366 1.310 1.00 0.00 N ATOM 553 CA LEU A 41 2.994 7.783 2.148 1.00 0.00 C ATOM 554 C LEU A 41 3.025 8.457 3.514 1.00 0.00 C ATOM 555 O LEU A 41 1.992 8.925 3.961 1.00 0.00 O ATOM 556 CB LEU A 41 3.108 6.245 2.268 1.00 0.00 C ATOM 557 CG LEU A 41 2.376 5.405 1.191 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.911 5.804 0.994 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.154 5.426 -0.122 1.00 0.00 C ATOM 0 H LEU A 41 4.701 7.675 0.944 1.00 0.00 H new ATOM 0 HA LEU A 41 2.031 7.966 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.165 5.980 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.726 5.951 3.246 1.00 0.00 H new ATOM 0 HG LEU A 41 2.344 4.380 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.463 5.174 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.369 5.675 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.857 6.848 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.626 4.831 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.244 6.453 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.148 5.008 0.037 1.00 0.00 H new ATOM 570 N ALA A 42 4.203 8.618 4.122 1.00 0.00 N ATOM 571 CA ALA A 42 4.352 9.273 5.427 1.00 0.00 C ATOM 572 C ALA A 42 3.775 10.708 5.479 1.00 0.00 C ATOM 573 O ALA A 42 3.227 11.104 6.511 1.00 0.00 O ATOM 574 CB ALA A 42 5.837 9.256 5.802 1.00 0.00 C ATOM 0 H ALA A 42 5.085 8.297 3.722 1.00 0.00 H new ATOM 0 HA ALA A 42 3.763 8.714 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.973 9.738 6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.186 8.225 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.409 9.793 5.045 1.00 0.00 H new ATOM 580 N GLU A 43 3.843 11.461 4.371 1.00 0.00 N ATOM 581 CA GLU A 43 3.250 12.800 4.267 1.00 0.00 C ATOM 582 C GLU A 43 1.717 12.736 4.124 1.00 0.00 C ATOM 583 O GLU A 43 1.019 13.418 4.875 1.00 0.00 O ATOM 584 CB GLU A 43 3.875 13.580 3.101 1.00 0.00 C ATOM 585 CG GLU A 43 5.288 14.082 3.426 1.00 0.00 C ATOM 586 CD GLU A 43 5.277 15.326 4.324 1.00 0.00 C ATOM 587 OE1 GLU A 43 5.016 16.443 3.815 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.556 15.207 5.539 1.00 0.00 O ATOM 0 H GLU A 43 4.313 11.156 3.519 1.00 0.00 H new ATOM 0 HA GLU A 43 3.468 13.329 5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.913 12.941 2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.238 14.429 2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.848 13.287 3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.811 14.312 2.498 1.00 0.00 H new ATOM 593 N VAL A 44 1.178 11.909 3.212 1.00 0.00 N ATOM 594 CA VAL A 44 -0.288 11.765 3.032 1.00 0.00 C ATOM 595 C VAL A 44 -0.970 11.177 4.280 1.00 0.00 C ATOM 596 O VAL A 44 -1.964 11.726 4.753 1.00 0.00 O ATOM 597 CB VAL A 44 -0.660 11.004 1.736 1.00 0.00 C ATOM 598 CG1 VAL A 44 0.060 9.689 1.518 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.154 10.701 1.658 1.00 0.00 C ATOM 0 H VAL A 44 1.732 11.326 2.584 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.683 12.773 2.908 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.342 11.699 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.275 9.241 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.135 9.866 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.160 9.012 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.369 10.167 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.445 10.085 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.716 11.635 1.677 1.00 0.00 H new ATOM 609 N PHE A 45 -0.429 10.094 4.841 1.00 0.00 N ATOM 610 CA PHE A 45 -1.023 9.339 5.950 1.00 0.00 C ATOM 611 C PHE A 45 -1.189 10.156 7.240 1.00 0.00 C ATOM 612 O PHE A 45 -2.037 9.823 8.066 1.00 0.00 O ATOM 613 CB PHE A 45 -0.208 8.065 6.249 1.00 0.00 C ATOM 614 CG PHE A 45 -1.016 6.796 6.155 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.036 6.561 7.091 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.748 5.844 5.150 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.795 5.386 7.015 1.00 0.00 C ATOM 618 CE2 PHE A 45 -1.511 4.663 5.080 1.00 0.00 C ATOM 619 CZ PHE A 45 -2.539 4.436 6.013 1.00 0.00 C ATOM 0 H PHE A 45 0.461 9.705 4.528 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.025 9.072 5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.628 8.006 5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.217 8.142 7.250 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.235 7.285 7.868 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.042 6.021 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.583 5.209 7.732 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.307 3.932 4.311 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.130 3.534 5.959 1.00 0.00 H new ATOM 628 N SER A 46 -0.428 11.240 7.402 1.00 0.00 N ATOM 629 CA SER A 46 -0.567 12.164 8.535 1.00 0.00 C ATOM 630 C SER A 46 -1.980 12.783 8.654 1.00 0.00 C ATOM 631 O SER A 46 -2.368 13.205 9.749 1.00 0.00 O ATOM 632 CB SER A 46 0.492 13.269 8.421 1.00 0.00 C ATOM 633 OG SER A 46 0.661 13.968 9.648 1.00 0.00 O ATOM 0 H SER A 46 0.308 11.505 6.747 1.00 0.00 H new ATOM 0 HA SER A 46 -0.415 11.583 9.445 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.443 12.831 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.202 13.971 7.640 1.00 0.00 H new ATOM 0 HG SER A 46 1.344 14.662 9.538 1.00 0.00 H new ATOM 638 N ASP A 47 -2.767 12.810 7.564 1.00 0.00 N ATOM 639 CA ASP A 47 -4.164 13.286 7.546 1.00 0.00 C ATOM 640 C ASP A 47 -5.224 12.157 7.539 1.00 0.00 C ATOM 641 O ASP A 47 -6.405 12.430 7.747 1.00 0.00 O ATOM 642 CB ASP A 47 -4.349 14.209 6.329 1.00 0.00 C ATOM 643 CG ASP A 47 -5.558 15.148 6.474 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.554 15.979 7.413 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.479 15.092 5.630 1.00 0.00 O ATOM 0 H ASP A 47 -2.443 12.495 6.650 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.333 13.824 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.447 14.804 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.472 13.601 5.433 1.00 0.00 H new ATOM 649 N TYR A 48 -4.816 10.894 7.336 1.00 0.00 N ATOM 650 CA TYR A 48 -5.711 9.722 7.249 1.00 0.00 C ATOM 651 C TYR A 48 -5.321 8.533 8.167 1.00 0.00 C ATOM 652 O TYR A 48 -5.413 7.377 7.726 1.00 0.00 O ATOM 653 CB TYR A 48 -5.831 9.272 5.777 1.00 0.00 C ATOM 654 CG TYR A 48 -6.109 10.394 4.799 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.414 10.901 4.642 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.047 10.966 4.074 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.654 11.988 3.779 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.276 12.071 3.233 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.578 12.592 3.095 1.00 0.00 C ATOM 660 OH TYR A 48 -6.775 13.683 2.305 1.00 0.00 O ATOM 0 H TYR A 48 -3.832 10.651 7.225 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.680 10.050 7.626 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.906 8.774 5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.629 8.533 5.700 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.234 10.454 5.185 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.052 10.555 4.163 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.659 12.358 3.641 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.455 12.519 2.694 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.921 13.963 1.915 1.00 0.00 H new ATOM 669 N PRO A 49 -4.919 8.745 9.440 1.00 0.00 N ATOM 670 CA PRO A 49 -4.441 7.680 10.323 1.00 0.00 C ATOM 671 C PRO A 49 -5.473 6.570 10.599 1.00 0.00 C ATOM 672 O PRO A 49 -5.090 5.482 11.032 1.00 0.00 O ATOM 673 CB PRO A 49 -4.008 8.369 11.626 1.00 0.00 C ATOM 674 CG PRO A 49 -4.863 9.634 11.656 1.00 0.00 C ATOM 675 CD PRO A 49 -4.962 10.003 10.177 1.00 0.00 C ATOM 0 HA PRO A 49 -3.619 7.156 9.835 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.193 7.738 12.495 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.943 8.603 11.623 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.844 9.450 12.095 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.395 10.426 12.241 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.886 10.543 9.972 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.140 10.655 9.883 1.00 0.00 H new ATOM 680 N GLU A 50 -6.766 6.804 10.325 1.00 0.00 N ATOM 681 CA GLU A 50 -7.827 5.794 10.399 1.00 0.00 C ATOM 682 C GLU A 50 -7.734 4.688 9.319 1.00 0.00 C ATOM 683 O GLU A 50 -8.353 3.638 9.490 1.00 0.00 O ATOM 684 CB GLU A 50 -9.202 6.482 10.358 1.00 0.00 C ATOM 685 CG GLU A 50 -9.520 7.188 9.031 1.00 0.00 C ATOM 686 CD GLU A 50 -10.861 7.931 9.139 1.00 0.00 C ATOM 687 OE1 GLU A 50 -11.929 7.302 8.947 1.00 0.00 O ATOM 688 OE2 GLU A 50 -10.859 9.151 9.428 1.00 0.00 O ATOM 0 H GLU A 50 -7.108 7.722 10.040 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.691 5.277 11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.973 5.737 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.253 7.212 11.165 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.724 7.891 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.563 6.458 8.223 1.00 0.00 H new ATOM 693 N VAL A 51 -6.972 4.890 8.233 1.00 0.00 N ATOM 694 CA VAL A 51 -6.720 3.853 7.213 1.00 0.00 C ATOM 695 C VAL A 51 -5.686 2.843 7.751 1.00 0.00 C ATOM 696 O VAL A 51 -4.721 3.228 8.411 1.00 0.00 O ATOM 697 CB VAL A 51 -6.267 4.476 5.867 1.00 0.00 C ATOM 698 CG1 VAL A 51 -5.978 3.412 4.790 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.318 5.453 5.313 1.00 0.00 C ATOM 0 H VAL A 51 -6.511 5.778 8.034 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.652 3.324 7.011 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.344 5.011 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.665 3.903 3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.184 2.750 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.880 2.830 4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.966 5.870 4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.256 4.923 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.478 6.260 6.029 1.00 0.00 H new ATOM 709 N GLY A 52 -5.867 1.543 7.486 1.00 0.00 N ATOM 710 CA GLY A 52 -4.935 0.489 7.928 1.00 0.00 C ATOM 711 C GLY A 52 -3.857 0.213 6.881 1.00 0.00 C ATOM 712 O GLY A 52 -4.172 -0.348 5.837 1.00 0.00 O ATOM 0 H GLY A 52 -6.664 1.188 6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.465 0.788 8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.490 -0.427 8.129 1.00 0.00 H new ATOM 716 N HIS A 53 -2.594 0.568 7.138 1.00 0.00 N ATOM 717 CA HIS A 53 -1.490 0.301 6.202 1.00 0.00 C ATOM 718 C HIS A 53 -0.846 -1.069 6.468 1.00 0.00 C ATOM 719 O HIS A 53 -0.473 -1.372 7.604 1.00 0.00 O ATOM 720 CB HIS A 53 -0.443 1.429 6.286 1.00 0.00 C ATOM 721 CG HIS A 53 0.380 1.659 5.034 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.627 2.258 4.972 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.011 1.407 3.738 1.00 0.00 C ATOM 724 CE1 HIS A 53 1.982 2.361 3.675 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.007 1.879 2.891 1.00 0.00 N ATOM 0 H HIS A 53 -2.306 1.045 7.993 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.898 0.275 5.191 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.956 2.357 6.537 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.236 1.208 7.109 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.182 2.568 5.770 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.902 0.922 3.427 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.915 2.772 3.320 1.00 0.00 H new ATOM 733 N LEU A 54 -0.659 -1.877 5.419 1.00 0.00 N ATOM 734 CA LEU A 54 0.046 -3.159 5.453 1.00 0.00 C ATOM 735 C LEU A 54 1.315 -3.087 4.592 1.00 0.00 C ATOM 736 O LEU A 54 1.249 -3.126 3.365 1.00 0.00 O ATOM 737 CB LEU A 54 -0.936 -4.259 5.006 1.00 0.00 C ATOM 738 CG LEU A 54 -0.342 -5.678 4.907 1.00 0.00 C ATOM 739 CD1 LEU A 54 0.260 -6.171 6.232 1.00 0.00 C ATOM 740 CD2 LEU A 54 -1.432 -6.651 4.449 1.00 0.00 C ATOM 0 H LEU A 54 -1.008 -1.646 4.489 1.00 0.00 H new ATOM 0 HA LEU A 54 0.383 -3.400 6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.772 -4.282 5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.342 -3.985 4.032 1.00 0.00 H new ATOM 0 HG LEU A 54 0.472 -5.637 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.662 -7.175 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.060 -5.498 6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.514 -6.190 6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.016 -7.656 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.250 -6.647 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.807 -6.344 3.473 1.00 0.00 H new ATOM 751 N LYS A 55 2.478 -2.993 5.244 1.00 0.00 N ATOM 752 CA LYS A 55 3.792 -2.949 4.594 1.00 0.00 C ATOM 753 C LYS A 55 4.297 -4.361 4.244 1.00 0.00 C ATOM 754 O LYS A 55 4.946 -5.004 5.072 1.00 0.00 O ATOM 755 CB LYS A 55 4.792 -2.263 5.543 1.00 0.00 C ATOM 756 CG LYS A 55 4.726 -0.737 5.498 1.00 0.00 C ATOM 757 CD LYS A 55 5.420 -0.037 6.671 1.00 0.00 C ATOM 758 CE LYS A 55 4.788 -0.380 8.030 1.00 0.00 C ATOM 759 NZ LYS A 55 5.318 0.491 9.110 1.00 0.00 N ATOM 0 H LYS A 55 2.534 -2.944 6.261 1.00 0.00 H new ATOM 0 HA LYS A 55 3.701 -2.388 3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.601 -2.597 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.802 -2.583 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.178 -0.394 4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.680 -0.431 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.473 -0.318 6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.380 1.042 6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.706 -0.268 7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.987 -1.424 8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.872 0.234 10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.348 0.365 9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.106 1.485 8.890 1.00 0.00 H new ATOM 769 N VAL A 56 4.061 -4.839 3.026 1.00 0.00 N ATOM 770 CA VAL A 56 4.503 -6.168 2.562 1.00 0.00 C ATOM 771 C VAL A 56 5.889 -6.085 1.952 1.00 0.00 C ATOM 772 O VAL A 56 6.109 -5.406 0.942 1.00 0.00 O ATOM 773 CB VAL A 56 3.510 -6.805 1.570 1.00 0.00 C ATOM 774 CG1 VAL A 56 3.976 -8.219 1.164 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.113 -6.875 2.196 1.00 0.00 C ATOM 0 H VAL A 56 3.551 -4.313 2.316 1.00 0.00 H new ATOM 0 HA VAL A 56 4.539 -6.817 3.437 1.00 0.00 H new ATOM 0 HB VAL A 56 3.471 -6.183 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.261 -8.651 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.956 -8.157 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.041 -8.849 2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.419 -7.327 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.150 -7.479 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.775 -5.869 2.444 1.00 0.00 H new ATOM 785 N GLU A 57 6.822 -6.795 2.591 1.00 0.00 N ATOM 786 CA GLU A 57 8.200 -6.880 2.133 1.00 0.00 C ATOM 787 C GLU A 57 8.323 -7.825 0.928 1.00 0.00 C ATOM 788 O GLU A 57 8.023 -9.017 1.025 1.00 0.00 O ATOM 789 CB GLU A 57 9.134 -7.281 3.285 1.00 0.00 C ATOM 790 CG GLU A 57 10.538 -6.784 2.965 1.00 0.00 C ATOM 791 CD GLU A 57 11.551 -7.142 4.062 1.00 0.00 C ATOM 792 OE1 GLU A 57 12.084 -8.280 4.061 1.00 0.00 O ATOM 793 OE2 GLU A 57 11.831 -6.280 4.923 1.00 0.00 O ATOM 0 H GLU A 57 6.637 -7.326 3.442 1.00 0.00 H new ATOM 0 HA GLU A 57 8.513 -5.892 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.785 -6.850 4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.135 -8.364 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.865 -7.213 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.516 -5.702 2.834 1.00 0.00 H new ATOM 894 N GLY A 65 2.338 -8.688 -4.375 1.00 0.00 N ATOM 895 CA GLY A 65 2.074 -7.863 -5.576 1.00 0.00 C ATOM 896 C GLY A 65 2.003 -8.682 -6.876 1.00 0.00 C ATOM 897 O GLY A 65 1.334 -8.287 -7.832 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.134 -7.328 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.858 -7.112 -5.671 1.00 0.00 H new ATOM 901 N ARG A 66 2.610 -9.875 -6.866 1.00 0.00 N ATOM 902 CA ARG A 66 2.409 -10.957 -7.836 1.00 0.00 C ATOM 903 C ARG A 66 0.918 -11.309 -8.002 1.00 0.00 C ATOM 904 O ARG A 66 0.402 -11.311 -9.117 1.00 0.00 O ATOM 905 CB ARG A 66 3.231 -12.157 -7.325 1.00 0.00 C ATOM 906 CG ARG A 66 3.098 -13.443 -8.154 1.00 0.00 C ATOM 907 CD ARG A 66 4.029 -14.552 -7.629 1.00 0.00 C ATOM 908 NE ARG A 66 3.819 -14.814 -6.191 1.00 0.00 N ATOM 909 CZ ARG A 66 2.846 -15.526 -5.636 1.00 0.00 C ATOM 910 NH1 ARG A 66 2.024 -16.276 -6.343 1.00 0.00 N ATOM 911 NH2 ARG A 66 2.677 -15.479 -4.335 1.00 0.00 N ATOM 0 H ARG A 66 3.288 -10.124 -6.146 1.00 0.00 H new ATOM 0 HA ARG A 66 2.743 -10.655 -8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.282 -11.870 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.930 -12.372 -6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.065 -13.790 -8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.335 -13.231 -9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.856 -15.468 -8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.067 -14.264 -7.798 1.00 0.00 H new ATOM 0 HE ARG A 66 4.498 -14.401 -5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.123 -16.325 -7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.289 -16.808 -5.876 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.290 -14.900 -3.762 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.933 -16.022 -3.897 1.00 0.00 H new ATOM 922 N SER A 67 0.198 -11.528 -6.906 1.00 0.00 N ATOM 923 CA SER A 67 -1.219 -11.936 -6.867 1.00 0.00 C ATOM 924 C SER A 67 -2.200 -10.746 -6.908 1.00 0.00 C ATOM 925 O SER A 67 -3.419 -10.931 -6.965 1.00 0.00 O ATOM 926 CB SER A 67 -1.470 -12.771 -5.603 1.00 0.00 C ATOM 927 OG SER A 67 -0.528 -13.836 -5.486 1.00 0.00 O ATOM 0 H SER A 67 0.597 -11.423 -5.973 1.00 0.00 H new ATOM 0 HA SER A 67 -1.407 -12.524 -7.765 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.408 -12.130 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.481 -13.179 -5.629 1.00 0.00 H new ATOM 0 HG SER A 67 -0.713 -14.348 -4.671 1.00 0.00 H new ATOM 932 N PHE A 68 -1.683 -9.513 -6.893 1.00 0.00 N ATOM 933 CA PHE A 68 -2.387 -8.305 -7.337 1.00 0.00 C ATOM 934 C PHE A 68 -2.082 -7.947 -8.801 1.00 0.00 C ATOM 935 O PHE A 68 -2.658 -6.986 -9.311 1.00 0.00 O ATOM 936 CB PHE A 68 -2.032 -7.144 -6.394 1.00 0.00 C ATOM 937 CG PHE A 68 -2.788 -7.194 -5.094 1.00 0.00 C ATOM 938 CD1 PHE A 68 -2.279 -7.935 -4.015 1.00 0.00 C ATOM 939 CD2 PHE A 68 -4.008 -6.512 -4.971 1.00 0.00 C ATOM 940 CE1 PHE A 68 -2.977 -7.973 -2.797 1.00 0.00 C ATOM 941 CE2 PHE A 68 -4.702 -6.544 -3.753 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.186 -7.268 -2.665 1.00 0.00 C ATOM 0 H PHE A 68 -0.737 -9.322 -6.563 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.459 -8.499 -7.295 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.962 -7.165 -6.187 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.242 -6.199 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.350 -8.476 -4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.411 -5.965 -5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.587 -8.541 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.636 -6.011 -3.651 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.719 -7.283 -1.726 1.00 0.00 H new ATOM 951 N GLN A 69 -1.205 -8.701 -9.478 1.00 0.00 N ATOM 952 CA GLN A 69 -0.827 -8.510 -10.882 1.00 0.00 C ATOM 953 C GLN A 69 -0.290 -7.082 -11.103 1.00 0.00 C ATOM 954 O GLN A 69 -0.682 -6.383 -12.038 1.00 0.00 O ATOM 955 CB GLN A 69 -1.991 -8.922 -11.808 1.00 0.00 C ATOM 956 CG GLN A 69 -2.325 -10.427 -11.720 1.00 0.00 C ATOM 957 CD GLN A 69 -3.050 -10.918 -10.460 1.00 0.00 C ATOM 958 OE1 GLN A 69 -2.763 -11.989 -9.940 1.00 0.00 O ATOM 959 NE2 GLN A 69 -3.991 -10.188 -9.899 1.00 0.00 N ATOM 0 H GLN A 69 -0.723 -9.489 -9.046 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.001 -9.169 -11.149 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.877 -8.343 -11.549 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.736 -8.671 -12.838 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.937 -10.687 -12.583 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.393 -10.985 -11.811 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.253 -9.291 -10.308 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.458 -10.519 -9.055 1.00 0.00 H new ATOM 966 N VAL A 70 0.568 -6.626 -10.184 1.00 0.00 N ATOM 967 CA VAL A 70 1.171 -5.278 -10.172 1.00 0.00 C ATOM 968 C VAL A 70 2.035 -5.024 -11.417 1.00 0.00 C ATOM 969 O VAL A 70 2.827 -5.876 -11.817 1.00 0.00 O ATOM 970 CB VAL A 70 1.987 -5.093 -8.868 1.00 0.00 C ATOM 971 CG1 VAL A 70 2.898 -3.859 -8.889 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.032 -4.975 -7.669 1.00 0.00 C ATOM 0 H VAL A 70 0.876 -7.200 -9.399 1.00 0.00 H new ATOM 0 HA VAL A 70 0.370 -4.539 -10.199 1.00 0.00 H new ATOM 0 HB VAL A 70 2.626 -5.972 -8.781 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.440 -3.790 -7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.609 -3.946 -9.710 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.293 -2.963 -9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.611 -4.845 -6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.377 -4.115 -7.809 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.431 -5.881 -7.592 1.00 0.00 H new ATOM 982 N LYS A 71 1.898 -3.830 -12.014 1.00 0.00 N ATOM 983 CA LYS A 71 2.674 -3.381 -13.187 1.00 0.00 C ATOM 984 C LYS A 71 4.065 -2.860 -12.758 1.00 0.00 C ATOM 985 O LYS A 71 5.025 -3.636 -12.752 1.00 0.00 O ATOM 986 CB LYS A 71 1.852 -2.364 -14.009 1.00 0.00 C ATOM 987 CG LYS A 71 1.018 -3.001 -15.138 1.00 0.00 C ATOM 988 CD LYS A 71 -0.028 -4.044 -14.710 1.00 0.00 C ATOM 989 CE LYS A 71 -1.144 -3.425 -13.859 1.00 0.00 C ATOM 990 NZ LYS A 71 -2.157 -4.441 -13.473 1.00 0.00 N ATOM 0 H LYS A 71 1.230 -3.131 -11.689 1.00 0.00 H new ATOM 0 HA LYS A 71 2.867 -4.226 -13.847 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.184 -1.824 -13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.530 -1.629 -14.442 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.505 -2.203 -15.676 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.702 -3.473 -15.844 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.462 -4.506 -15.596 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.461 -4.837 -14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.715 -2.978 -12.962 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.626 -2.622 -14.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.880 -3.999 -12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.607 -4.825 -14.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.694 -5.211 -12.950 1.00 0.00 H new ATOM 1000 N LEU A 72 4.194 -1.576 -12.388 1.00 0.00 N ATOM 1001 CA LEU A 72 5.440 -1.039 -11.820 1.00 0.00 C ATOM 1002 C LEU A 72 5.523 -1.391 -10.331 1.00 0.00 C ATOM 1003 O LEU A 72 4.539 -1.305 -9.604 1.00 0.00 O ATOM 1004 CB LEU A 72 5.560 0.477 -12.059 1.00 0.00 C ATOM 1005 CG LEU A 72 7.028 0.967 -12.043 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.741 0.640 -13.361 1.00 0.00 C ATOM 1007 CD2 LEU A 72 7.080 2.481 -11.810 1.00 0.00 C ATOM 0 H LEU A 72 3.446 -0.888 -12.473 1.00 0.00 H new ATOM 0 HA LEU A 72 6.286 -1.500 -12.329 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.108 0.727 -13.019 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.995 1.008 -11.293 1.00 0.00 H new ATOM 0 HG LEU A 72 7.537 0.449 -11.231 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.770 0.998 -13.317 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.738 -0.439 -13.518 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.222 1.128 -14.186 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.118 2.812 -11.801 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.543 2.991 -12.610 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.615 2.718 -10.853 1.00 0.00 H new ATOM 1018 N TRP A 73 6.706 -1.782 -9.871 1.00 0.00 N ATOM 1019 CA TRP A 73 6.919 -2.360 -8.544 1.00 0.00 C ATOM 1020 C TRP A 73 6.475 -1.479 -7.348 1.00 0.00 C ATOM 1021 O TRP A 73 5.819 -2.035 -6.458 1.00 0.00 O ATOM 1022 CB TRP A 73 8.389 -2.742 -8.450 1.00 0.00 C ATOM 1023 CG TRP A 73 8.749 -3.511 -7.228 1.00 0.00 C ATOM 1024 CD1 TRP A 73 8.509 -4.822 -7.013 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.426 -3.025 -6.040 1.00 0.00 C ATOM 1026 NE1 TRP A 73 9.031 -5.188 -5.790 1.00 0.00 N ATOM 1027 CE2 TRP A 73 9.662 -4.132 -5.170 1.00 0.00 C ATOM 1028 CE3 TRP A 73 9.897 -1.758 -5.627 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.405 -4.004 -3.987 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.599 -1.616 -4.418 1.00 0.00 C ATOM 1031 CH2 TRP A 73 10.881 -2.736 -3.616 1.00 0.00 C ATOM 0 H TRP A 73 7.563 -1.706 -10.419 1.00 0.00 H new ATOM 0 HA TRP A 73 6.267 -3.229 -8.454 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.655 -3.332 -9.327 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.990 -1.834 -8.483 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.989 -5.481 -7.693 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.959 -6.125 -5.393 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.716 -0.892 -6.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.608 -4.868 -3.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 10.925 -0.636 -4.101 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.464 -2.621 -2.714 1.00 0.00 H new ATOM 1041 N PRO A 74 6.767 -0.153 -7.286 1.00 0.00 N ATOM 1042 CA PRO A 74 6.277 0.707 -6.218 1.00 0.00 C ATOM 1043 C PRO A 74 4.779 0.984 -6.404 1.00 0.00 C ATOM 1044 O PRO A 74 4.381 1.942 -7.080 1.00 0.00 O ATOM 1045 CB PRO A 74 7.125 1.978 -6.271 1.00 0.00 C ATOM 1046 CG PRO A 74 7.476 2.078 -7.754 1.00 0.00 C ATOM 1047 CD PRO A 74 7.681 0.611 -8.130 1.00 0.00 C ATOM 0 HA PRO A 74 6.371 0.242 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.571 2.851 -5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.015 1.898 -5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.676 2.540 -8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.374 2.672 -7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.467 0.445 -9.186 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.714 0.306 -7.962 1.00 0.00 H new ATOM 1052 N THR A 75 3.951 0.128 -5.797 1.00 0.00 N ATOM 1053 CA THR A 75 2.491 0.134 -5.901 1.00 0.00 C ATOM 1054 C THR A 75 1.885 -0.202 -4.557 1.00 0.00 C ATOM 1055 O THR A 75 2.420 -1.011 -3.798 1.00 0.00 O ATOM 1056 CB THR A 75 2.023 -0.865 -6.965 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.366 -0.352 -8.223 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.506 -1.074 -7.021 1.00 0.00 C ATOM 0 H THR A 75 4.296 -0.619 -5.194 1.00 0.00 H new ATOM 0 HA THR A 75 2.161 1.128 -6.202 1.00 0.00 H new ATOM 0 HB THR A 75 2.496 -1.813 -6.707 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.156 -0.822 -8.564 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.267 -1.796 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.155 -1.449 -6.060 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.016 -0.126 -7.241 1.00 0.00 H new ATOM 1066 N PHE A 76 0.744 0.417 -4.293 1.00 0.00 N ATOM 1067 CA PHE A 76 -0.071 0.178 -3.118 1.00 0.00 C ATOM 1068 C PHE A 76 -1.548 0.167 -3.525 1.00 0.00 C ATOM 1069 O PHE A 76 -2.033 1.059 -4.229 1.00 0.00 O ATOM 1070 CB PHE A 76 0.247 1.197 -2.010 1.00 0.00 C ATOM 1071 CG PHE A 76 0.741 2.540 -2.473 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.084 2.713 -2.866 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.172 3.601 -2.552 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.507 3.943 -3.380 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.268 4.835 -3.027 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.590 4.998 -3.470 1.00 0.00 C ATOM 0 H PHE A 76 0.349 1.123 -4.914 1.00 0.00 H new ATOM 0 HA PHE A 76 0.162 -0.799 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.653 1.349 -1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.998 0.764 -1.349 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.785 1.897 -2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.200 3.464 -2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.529 4.078 -3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.413 5.672 -3.055 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.903 5.945 -3.884 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.238 -0.888 -3.096 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.621 -1.227 -3.475 1.00 0.00 C ATOM 1087 C VAL A 77 -4.555 -0.911 -2.307 1.00 0.00 C ATOM 1088 O VAL A 77 -4.377 -1.436 -1.207 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.756 -2.702 -3.922 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.148 -2.966 -4.521 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.705 -3.047 -4.987 1.00 0.00 C ATOM 0 H VAL A 77 -1.837 -1.564 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.903 -0.620 -4.335 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.608 -3.322 -3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.220 -4.009 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.912 -2.754 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.300 -2.321 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.819 -4.089 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.842 -2.403 -5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.707 -2.895 -4.576 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.522 -0.025 -2.548 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.520 0.385 -1.558 1.00 0.00 C ATOM 1103 C PHE A 78 -7.650 -0.657 -1.534 1.00 0.00 C ATOM 1104 O PHE A 78 -8.278 -0.945 -2.560 1.00 0.00 O ATOM 1105 CB PHE A 78 -7.038 1.809 -1.857 1.00 0.00 C ATOM 1106 CG PHE A 78 -6.005 2.931 -1.780 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -5.055 3.077 -2.812 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.944 3.796 -0.665 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -4.040 4.039 -2.719 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.945 4.793 -0.598 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.998 4.913 -1.628 1.00 0.00 C ATOM 0 H PHE A 78 -5.636 0.436 -3.451 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.069 0.427 -0.567 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.474 1.812 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.843 2.035 -1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.110 2.441 -3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.661 3.695 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.288 4.106 -3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.910 5.464 0.247 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.238 5.679 -1.578 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.893 -1.253 -0.367 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.862 -2.326 -0.136 1.00 0.00 C ATOM 1122 C LEU A 79 -10.005 -1.856 0.776 1.00 0.00 C ATOM 1123 O LEU A 79 -9.849 -0.962 1.611 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.178 -3.566 0.481 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.625 -4.557 -0.554 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -6.447 -3.961 -1.311 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.196 -5.857 0.127 1.00 0.00 C ATOM 0 H LEU A 79 -7.396 -0.989 0.484 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.280 -2.600 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.362 -3.235 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.895 -4.084 1.117 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.421 -4.771 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.077 -4.685 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.768 -3.058 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.652 -3.712 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.807 -6.548 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.421 -5.644 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.055 -6.307 0.625 1.00 0.00 H new ATOM 1138 N ARG A 80 -11.144 -2.538 0.642 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.347 -2.403 1.471 1.00 0.00 C ATOM 1140 C ARG A 80 -13.272 -3.593 1.216 1.00 0.00 C ATOM 1141 O ARG A 80 -13.390 -4.061 0.083 1.00 0.00 O ATOM 1142 CB ARG A 80 -13.048 -1.074 1.143 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.908 -0.561 2.307 1.00 0.00 C ATOM 1144 CD ARG A 80 -14.536 0.790 1.949 1.00 0.00 C ATOM 1145 NE ARG A 80 -15.609 0.650 0.949 1.00 0.00 N ATOM 1146 CZ ARG A 80 -16.170 1.633 0.247 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -15.789 2.890 0.376 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -17.125 1.355 -0.610 1.00 0.00 N ATOM 0 H ARG A 80 -11.260 -3.240 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.078 -2.396 2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.298 -0.324 0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.676 -1.206 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.691 -1.284 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.296 -0.459 3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.938 1.254 2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.765 1.458 1.563 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.957 -0.293 0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.044 3.133 1.029 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.240 3.619 -0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.433 0.391 -0.735 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.559 2.103 -1.151 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.874 -4.138 2.272 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.746 -5.338 2.226 1.00 0.00 C ATOM 1161 C ASP A 81 -13.996 -6.609 1.752 1.00 0.00 C ATOM 1162 O ASP A 81 -14.600 -7.554 1.241 1.00 0.00 O ATOM 1163 CB ASP A 81 -16.014 -5.048 1.387 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.151 -6.059 1.639 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.525 -6.262 2.821 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.689 -6.612 0.652 1.00 0.00 O ATOM 0 H ASP A 81 -13.774 -3.757 3.213 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.061 -5.558 3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.372 -4.044 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.753 -5.060 0.329 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.660 -6.612 1.860 1.00 0.00 N ATOM 1171 CA GLY A 82 -11.787 -7.705 1.412 1.00 0.00 C ATOM 1172 C GLY A 82 -11.371 -7.615 -0.060 1.00 0.00 C ATOM 1173 O GLY A 82 -10.559 -8.427 -0.504 1.00 0.00 O ATOM 0 H GLY A 82 -12.144 -5.834 2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.890 -7.715 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.298 -8.654 1.576 1.00 0.00 H new ATOM 1177 N ARG A 83 -11.910 -6.645 -0.810 1.00 0.00 N ATOM 1178 CA ARG A 83 -11.685 -6.443 -2.244 1.00 0.00 C ATOM 1179 C ARG A 83 -10.961 -5.116 -2.486 1.00 0.00 C ATOM 1180 O ARG A 83 -11.009 -4.193 -1.681 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.028 -6.462 -3.002 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.653 -7.859 -3.172 1.00 0.00 C ATOM 1183 CD ARG A 83 -14.425 -8.294 -1.928 1.00 0.00 C ATOM 1184 NE ARG A 83 -15.130 -9.570 -2.144 1.00 0.00 N ATOM 1185 CZ ARG A 83 -15.743 -10.289 -1.211 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -15.790 -9.904 0.045 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -16.332 -11.418 -1.540 1.00 0.00 N ATOM 0 H ARG A 83 -12.543 -5.950 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.060 -7.255 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.737 -5.824 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.879 -6.024 -3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.323 -7.855 -4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.868 -8.585 -3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.736 -8.396 -1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.145 -7.521 -1.657 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.149 -9.934 -3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.347 -9.029 0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.269 -10.480 0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.317 -11.738 -2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.804 -11.974 -0.827 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.280 -5.024 -3.619 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.683 -3.772 -4.116 1.00 0.00 C ATOM 1200 C GLU A 84 -10.777 -2.749 -4.478 1.00 0.00 C ATOM 1201 O GLU A 84 -11.713 -3.070 -5.216 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.766 -4.094 -5.314 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.295 -2.857 -6.100 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.311 -3.189 -7.237 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -7.018 -4.378 -7.497 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.798 -2.247 -7.885 1.00 0.00 O ATOM 0 H GLU A 84 -10.119 -5.822 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.078 -3.314 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.892 -4.635 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.296 -4.762 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.164 -2.350 -6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.820 -2.158 -5.412 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.631 -1.522 -3.976 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.432 -0.344 -4.366 1.00 0.00 C ATOM 1213 C VAL A 85 -10.674 0.593 -5.318 1.00 0.00 C ATOM 1214 O VAL A 85 -11.304 1.310 -6.095 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.940 0.450 -3.136 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -13.038 -0.344 -2.423 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.845 0.817 -2.120 1.00 0.00 C ATOM 0 H VAL A 85 -9.933 -1.306 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.296 -0.740 -4.900 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.323 1.391 -3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.391 0.219 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.868 -0.515 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.638 -1.302 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.288 1.371 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.381 -0.093 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.089 1.434 -2.606 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.334 0.546 -5.296 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.422 1.329 -6.135 1.00 0.00 C ATOM 1229 C ALA A 86 -6.974 0.851 -5.958 1.00 0.00 C ATOM 1230 O ALA A 86 -6.695 0.029 -5.089 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.528 2.804 -5.734 1.00 0.00 C ATOM 0 H ALA A 86 -8.833 -0.073 -4.658 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.700 1.200 -7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.854 3.398 -6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.552 3.148 -5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.254 2.917 -4.685 1.00 0.00 H new ATOM 1237 N ARG A 87 -6.039 1.467 -6.686 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.611 1.406 -6.390 1.00 0.00 C ATOM 1239 C ARG A 87 -3.888 2.641 -6.914 1.00 0.00 C ATOM 1240 O ARG A 87 -4.364 3.306 -7.835 1.00 0.00 O ATOM 1241 CB ARG A 87 -3.998 0.106 -6.915 1.00 0.00 C ATOM 1242 CG ARG A 87 -3.972 -0.027 -8.438 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.226 -1.314 -8.781 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.049 -2.524 -8.579 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.664 -3.772 -8.804 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.457 -4.074 -9.236 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.495 -4.766 -8.608 1.00 0.00 N ATOM 0 H ARG A 87 -6.259 2.029 -7.508 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.485 1.403 -5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.977 0.026 -6.541 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.556 -0.734 -6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.986 -0.056 -8.836 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.477 0.833 -8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.898 -1.273 -9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.329 -1.383 -8.166 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.999 -2.387 -8.235 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.778 -3.333 -9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.202 -5.048 -9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.443 -4.581 -8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.194 -5.725 -8.783 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.724 2.924 -6.345 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.801 3.957 -6.841 1.00 0.00 C ATOM 1260 C VAL A 88 -0.498 3.263 -7.251 1.00 0.00 C ATOM 1261 O VAL A 88 0.123 2.594 -6.423 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.566 5.036 -5.766 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.417 6.001 -6.120 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.818 5.887 -5.476 1.00 0.00 C ATOM 0 H VAL A 88 -2.382 2.441 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.224 4.469 -7.705 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.302 4.462 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.302 6.737 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.510 5.438 -6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.646 6.511 -7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.585 6.627 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.132 6.394 -6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.623 5.242 -5.124 1.00 0.00 H new ATOM 1274 N VAL A 89 -0.120 3.422 -8.523 1.00 0.00 N ATOM 1275 CA VAL A 89 1.130 2.920 -9.116 1.00 0.00 C ATOM 1276 C VAL A 89 2.019 4.135 -9.402 1.00 0.00 C ATOM 1277 O VAL A 89 1.570 5.064 -10.070 1.00 0.00 O ATOM 1278 CB VAL A 89 0.869 2.150 -10.444 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.167 1.637 -11.106 1.00 0.00 C ATOM 1280 CG2 VAL A 89 -0.126 0.986 -10.272 1.00 0.00 C ATOM 0 H VAL A 89 -0.698 3.924 -9.198 1.00 0.00 H new ATOM 0 HA VAL A 89 1.605 2.225 -8.424 1.00 0.00 H new ATOM 0 HB VAL A 89 0.419 2.887 -11.110 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.921 1.109 -12.027 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.817 2.481 -11.334 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.680 0.958 -10.424 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.270 0.486 -11.230 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.268 0.275 -9.546 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.081 1.373 -9.918 1.00 0.00 H new ATOM 1290 N ARG A 90 3.268 4.137 -8.907 1.00 0.00 N ATOM 1291 CA ARG A 90 4.260 5.214 -9.099 1.00 0.00 C ATOM 1292 C ARG A 90 3.733 6.607 -8.647 1.00 0.00 C ATOM 1293 O ARG A 90 3.303 7.396 -9.498 1.00 0.00 O ATOM 1294 CB ARG A 90 4.727 5.210 -10.567 1.00 0.00 C ATOM 1295 CG ARG A 90 6.005 6.045 -10.757 1.00 0.00 C ATOM 1296 CD ARG A 90 6.324 6.217 -12.248 1.00 0.00 C ATOM 1297 NE ARG A 90 7.567 6.987 -12.451 1.00 0.00 N ATOM 1298 CZ ARG A 90 8.079 7.355 -13.622 1.00 0.00 C ATOM 1299 NH1 ARG A 90 7.501 7.058 -14.767 1.00 0.00 N ATOM 1300 NH2 ARG A 90 9.202 8.036 -13.651 1.00 0.00 N ATOM 0 H ARG A 90 3.629 3.366 -8.344 1.00 0.00 H new ATOM 0 HA ARG A 90 5.116 5.016 -8.454 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.910 4.185 -10.888 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.935 5.606 -11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.879 7.023 -10.292 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.841 5.558 -10.255 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.422 5.237 -12.715 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.496 6.725 -12.742 1.00 0.00 H new ATOM 0 HE ARG A 90 8.082 7.263 -11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.630 6.528 -14.776 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.925 7.358 -15.645 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.674 8.278 -12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.602 8.322 -14.545 1.00 0.00 H new ATOM 1311 N PRO A 91 3.740 6.932 -7.339 1.00 0.00 N ATOM 1312 CA PRO A 91 3.257 8.221 -6.839 1.00 0.00 C ATOM 1313 C PRO A 91 4.137 9.357 -7.375 1.00 0.00 C ATOM 1314 O PRO A 91 5.344 9.378 -7.128 1.00 0.00 O ATOM 1315 CB PRO A 91 3.302 8.120 -5.321 1.00 0.00 C ATOM 1316 CG PRO A 91 4.387 7.079 -5.051 1.00 0.00 C ATOM 1317 CD PRO A 91 4.251 6.120 -6.238 1.00 0.00 C ATOM 0 HA PRO A 91 2.243 8.445 -7.172 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.547 9.079 -4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.340 7.809 -4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.378 7.531 -5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.229 6.569 -4.101 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.212 5.673 -6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.570 5.301 -6.005 1.00 0.00 H new ATOM 1322 N GLY A 92 3.541 10.300 -8.115 1.00 0.00 N ATOM 1323 CA GLY A 92 4.274 11.406 -8.749 1.00 0.00 C ATOM 1324 C GLY A 92 4.543 12.601 -7.820 1.00 0.00 C ATOM 1325 O GLY A 92 5.490 13.354 -8.031 1.00 0.00 O ATOM 0 H GLY A 92 2.537 10.319 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.226 11.029 -9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.708 11.753 -9.614 1.00 0.00 H new ATOM 1329 N SER A 93 3.717 12.755 -6.783 1.00 0.00 N ATOM 1330 CA SER A 93 3.762 13.812 -5.759 1.00 0.00 C ATOM 1331 C SER A 93 2.667 13.557 -4.712 1.00 0.00 C ATOM 1332 O SER A 93 1.691 12.842 -4.982 1.00 0.00 O ATOM 1333 CB SER A 93 3.588 15.216 -6.374 1.00 0.00 C ATOM 1334 OG SER A 93 3.767 16.222 -5.392 1.00 0.00 O ATOM 0 H SER A 93 2.948 12.105 -6.622 1.00 0.00 H new ATOM 0 HA SER A 93 4.744 13.782 -5.286 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.308 15.356 -7.180 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.595 15.304 -6.815 1.00 0.00 H new ATOM 0 HG SER A 93 3.654 17.104 -5.803 1.00 0.00 H new ATOM 1339 N ALA A 94 2.771 14.182 -3.537 1.00 0.00 N ATOM 1340 CA ALA A 94 1.738 14.153 -2.501 1.00 0.00 C ATOM 1341 C ALA A 94 0.373 14.579 -3.062 1.00 0.00 C ATOM 1342 O ALA A 94 -0.637 13.969 -2.737 1.00 0.00 O ATOM 1343 CB ALA A 94 2.194 15.055 -1.351 1.00 0.00 C ATOM 0 H ALA A 94 3.589 14.731 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 94 1.606 13.136 -2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.440 15.051 -0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.138 14.685 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.329 16.072 -1.718 1.00 0.00 H new ATOM 1349 N SER A 95 0.343 15.516 -4.006 1.00 0.00 N ATOM 1350 CA SER A 95 -0.891 15.937 -4.690 1.00 0.00 C ATOM 1351 C SER A 95 -1.597 14.810 -5.472 1.00 0.00 C ATOM 1352 O SER A 95 -2.805 14.892 -5.680 1.00 0.00 O ATOM 1353 CB SER A 95 -0.583 17.099 -5.645 1.00 0.00 C ATOM 1354 OG SER A 95 0.087 18.163 -4.977 1.00 0.00 O ATOM 0 H SER A 95 1.176 16.012 -4.325 1.00 0.00 H new ATOM 0 HA SER A 95 -1.579 16.245 -3.903 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.034 16.740 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.511 17.469 -6.080 1.00 0.00 H new ATOM 0 HG SER A 95 0.270 18.885 -5.614 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.878 13.750 -5.872 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.428 12.542 -6.518 1.00 0.00 C ATOM 1361 C VAL A 96 -1.830 11.510 -5.453 1.00 0.00 C ATOM 1362 O VAL A 96 -2.902 10.909 -5.548 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.401 11.915 -7.497 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.967 10.677 -8.212 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.083 12.930 -8.549 1.00 0.00 C ATOM 0 H VAL A 96 0.134 13.706 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.310 12.836 -7.088 1.00 0.00 H new ATOM 0 HB VAL A 96 0.447 11.609 -6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.214 10.271 -8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.237 9.922 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.852 10.959 -8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.801 12.450 -9.214 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.768 13.286 -9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.559 13.773 -8.049 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.977 11.305 -4.439 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.211 10.319 -3.381 1.00 0.00 C ATOM 1377 C LEU A 97 -2.371 10.725 -2.457 1.00 0.00 C ATOM 1378 O LEU A 97 -3.303 9.949 -2.269 1.00 0.00 O ATOM 1379 CB LEU A 97 0.116 10.068 -2.624 1.00 0.00 C ATOM 1380 CG LEU A 97 0.463 8.564 -2.575 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.801 8.327 -1.888 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.669 7.820 -1.862 1.00 0.00 C ATOM 0 H LEU A 97 -0.104 11.821 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.530 9.377 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.924 10.613 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.037 10.458 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 97 0.561 8.183 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.016 7.259 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.588 8.846 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.758 8.706 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.436 6.756 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.777 8.207 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.601 7.966 -2.408 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.358 11.955 -1.945 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.446 12.532 -1.153 1.00 0.00 C ATOM 1395 C GLU A 98 -4.792 12.484 -1.885 1.00 0.00 C ATOM 1396 O GLU A 98 -5.788 12.077 -1.285 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.129 13.987 -0.753 1.00 0.00 C ATOM 1398 CG GLU A 98 -1.941 14.145 0.210 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.761 15.617 0.608 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -1.174 16.392 -0.184 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -2.217 16.015 1.706 1.00 0.00 O ATOM 0 H GLU A 98 -1.573 12.594 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.529 11.919 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.925 14.562 -1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.014 14.423 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.105 13.539 1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.031 13.776 -0.263 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.824 12.835 -3.177 1.00 0.00 N ATOM 1407 CA GLU A 99 -6.025 12.793 -4.026 1.00 0.00 C ATOM 1408 C GLU A 99 -6.670 11.404 -4.063 1.00 0.00 C ATOM 1409 O GLU A 99 -7.896 11.286 -4.032 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.648 13.250 -5.445 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.759 13.021 -6.485 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.530 13.858 -7.753 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.964 15.035 -7.798 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.931 13.339 -8.724 1.00 0.00 O ATOM 0 H GLU A 99 -3.996 13.164 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.767 13.466 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.398 14.311 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.751 12.718 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.799 11.964 -6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.725 13.277 -6.049 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.869 10.340 -4.106 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.386 8.982 -4.006 1.00 0.00 C ATOM 1421 C ALA A 100 -6.798 8.629 -2.570 1.00 0.00 C ATOM 1422 O ALA A 100 -7.836 7.999 -2.375 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.321 8.032 -4.552 1.00 0.00 C ATOM 0 H ALA A 100 -4.856 10.396 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.296 8.888 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.682 7.006 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.111 8.280 -5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.408 8.132 -3.964 1.00 0.00 H new ATOM 1429 N PHE A 101 -6.066 9.080 -1.546 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.387 8.775 -0.152 1.00 0.00 C ATOM 1431 C PHE A 101 -7.766 9.325 0.220 1.00 0.00 C ATOM 1432 O PHE A 101 -8.617 8.561 0.675 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.301 9.302 0.788 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.312 8.243 1.234 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.365 7.702 0.340 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.340 7.793 2.570 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.440 6.752 0.800 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.421 6.832 3.018 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.465 6.320 2.131 1.00 0.00 C ATOM 0 H PHE A 101 -5.238 9.664 -1.662 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.421 7.691 -0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.759 10.105 0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.775 9.737 1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.352 8.017 -0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.075 8.191 3.254 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.702 6.351 0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.450 6.489 4.042 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.746 5.591 2.475 1.00 0.00 H new ATOM 1448 N GLU A 102 -8.014 10.611 -0.043 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.325 11.222 0.203 1.00 0.00 C ATOM 1450 C GLU A 102 -10.445 10.557 -0.603 1.00 0.00 C ATOM 1451 O GLU A 102 -11.560 10.395 -0.101 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.334 12.747 -0.020 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.695 13.285 -1.295 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.455 14.497 -1.877 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -9.356 15.607 -1.299 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -10.157 14.343 -2.905 1.00 0.00 O ATOM 0 H GLU A 102 -7.321 11.253 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.522 11.047 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.371 13.082 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.831 13.212 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.665 13.573 -1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.659 12.491 -2.041 1.00 0.00 H new ATOM 1461 N SER A 103 -10.146 10.111 -1.820 1.00 0.00 N ATOM 1462 CA SER A 103 -11.113 9.447 -2.692 1.00 0.00 C ATOM 1463 C SER A 103 -11.528 8.049 -2.195 1.00 0.00 C ATOM 1464 O SER A 103 -12.645 7.614 -2.480 1.00 0.00 O ATOM 1465 CB SER A 103 -10.500 9.361 -4.095 1.00 0.00 C ATOM 1466 OG SER A 103 -10.457 10.632 -4.730 1.00 0.00 O ATOM 0 H SER A 103 -9.218 10.201 -2.233 1.00 0.00 H new ATOM 0 HA SER A 103 -12.030 10.036 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.491 8.954 -4.027 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.082 8.669 -4.704 1.00 0.00 H new ATOM 0 HG SER A 103 -9.579 11.041 -4.584 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.662 7.350 -1.441 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.919 6.006 -0.910 1.00 0.00 C ATOM 1473 C LEU A 104 -11.287 6.006 0.581 1.00 0.00 C ATOM 1474 O LEU A 104 -12.008 5.110 1.022 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.710 5.094 -1.197 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.606 4.585 -2.656 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.954 4.114 -3.221 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.981 5.564 -3.655 1.00 0.00 C ATOM 0 H LEU A 104 -9.746 7.714 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.795 5.612 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.798 5.638 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.757 4.233 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.922 3.743 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.818 3.769 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.339 3.297 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.663 4.942 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.957 5.108 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.576 6.477 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.965 5.805 -3.341 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.871 7.024 1.337 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.300 7.243 2.726 1.00 0.00 C ATOM 1491 C VAL A 105 -12.756 7.749 2.798 1.00 0.00 C ATOM 1492 O VAL A 105 -13.405 7.616 3.835 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.331 8.211 3.456 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.750 9.685 3.359 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.155 7.839 4.924 1.00 0.00 C ATOM 0 H VAL A 105 -10.218 7.731 1.000 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.267 6.282 3.238 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.381 8.099 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.028 10.304 3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.784 9.986 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.736 9.813 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.469 8.542 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.121 7.879 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.749 6.830 4.998 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.256 8.342 1.701 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.618 8.880 1.567 1.00 0.00 C ATOM 1507 C GLY A 106 -14.745 10.394 1.815 1.00 0.00 C ATOM 1508 O GLY A 106 -15.867 10.886 1.911 1.00 0.00 O ATOM 0 H GLY A 106 -12.702 8.464 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.983 8.659 0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.270 8.356 2.266 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.633 11.126 1.905 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.591 12.578 2.113 1.00 0.00 C ATOM 1514 C GLU A 107 -13.593 13.377 0.790 1.00 0.00 C ATOM 1515 O GLU A 107 -13.913 14.568 0.791 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.351 12.926 2.957 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.571 12.676 4.456 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.548 13.684 5.083 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -13.154 14.859 5.293 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.694 13.302 5.404 1.00 0.00 O ATOM 0 H GLU A 107 -12.704 10.712 1.833 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.500 12.867 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.504 12.333 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.091 13.973 2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.954 11.666 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.614 12.731 4.975 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.291 12.731 -0.343 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.197 13.333 -1.682 1.00 0.00 C ATOM 1527 C GLY A 108 -14.556 13.634 -2.325 1.00 0.00 C ATOM 1528 O GLY A 108 -14.847 13.156 -3.423 1.00 0.00 O ATOM 0 H GLY A 108 -13.097 11.730 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.625 14.259 -1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.639 12.661 -2.333 1.00 0.00 H new