USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 765 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 54 HIS : no HE2:sc= -0.392 K(o=-0.39,f=-0.97) USER MOD Set 1.2: A 57 LYS NZ :NH3+ 159:sc=-0.000605 (180deg=0) USER MOD Single : A 6 SER OG : rot -20:sc= 0.818 USER MOD Single : A 9 THR OG1 : rot 17:sc= 0.776 USER MOD Single : A 11 ASN : amide:sc= -0.8 K(o=-0.8,f=-6.6!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.594 USER MOD Single : A 22 GLN : amide:sc= -0.804 X(o=-0.8,f=-0.39) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 25:sc= 0.637! USER MOD Single : A 34 HIS : no HD1:sc= -0.416 K(o=-0.42,f=-5.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -56:sc= 1.18 USER MOD Single : A 50 GLN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.89 K(o=-0.89,f=-2.1!) USER MOD Single : A 53 SER OG : rot 93:sc= 1.26 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 159:sc= -0.0211 (180deg=-0.265) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.569 K(o=-0.57,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= -0.132 (180deg=-0.785) USER MOD Single : A 80 HIS : no HD1:sc= -0.0505 K(o=-0.05,f=-2.2!) USER MOD Single : A 81 LYS NZ :NH3+ -115:sc= -4.76! (180deg=-6.7!) USER MOD Single : A 82 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.2!) USER MOD Single : A 84 LYS NZ :NH3+ -109:sc= -3.07! (180deg=-4.66!) USER MOD Single : A 87 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.0455 X(o=-0.046,f=-0.06) USER MOD Single : A 90 GLN : amide:sc= 0.152 X(o=0.15,f=-0.076) USER MOD Single : A 100 ASN : amide:sc= -0.0336 X(o=-0.034,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 6 12.527 1.096 7.093 1.00 0.00 N ATOM 70 CA SER A 6 12.222 0.578 5.783 1.00 0.00 C ATOM 71 C SER A 6 10.770 0.146 5.728 1.00 0.00 C ATOM 72 O SER A 6 10.278 -0.553 6.610 1.00 0.00 O ATOM 73 CB SER A 6 13.132 -0.592 5.417 1.00 0.00 C ATOM 74 OG SER A 6 13.897 -0.980 6.551 1.00 0.00 O ATOM 0 HA SER A 6 12.394 1.372 5.057 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.535 -1.433 5.065 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.795 -0.307 4.600 1.00 0.00 H new ATOM 0 HG SER A 6 13.918 -0.245 7.199 1.00 0.00 H new ATOM 80 N ALA A 7 10.108 0.589 4.686 1.00 0.00 N ATOM 81 CA ALA A 7 8.697 0.291 4.461 1.00 0.00 C ATOM 82 C ALA A 7 8.117 1.315 3.501 1.00 0.00 C ATOM 83 O ALA A 7 7.056 1.109 2.917 1.00 0.00 O ATOM 84 CB ALA A 7 7.912 0.335 5.774 1.00 0.00 C ATOM 0 H ALA A 7 10.528 1.171 3.961 1.00 0.00 H new ATOM 0 HA ALA A 7 8.618 -0.712 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.864 0.110 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.319 -0.402 6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.994 1.329 6.214 1.00 0.00 H new ATOM 90 N VAL A 8 8.822 2.428 3.351 1.00 0.00 N ATOM 91 CA VAL A 8 8.366 3.483 2.463 1.00 0.00 C ATOM 92 C VAL A 8 9.522 4.401 2.084 1.00 0.00 C ATOM 93 O VAL A 8 10.551 4.433 2.761 1.00 0.00 O ATOM 94 CB VAL A 8 7.243 4.283 3.141 1.00 0.00 C ATOM 95 CG1 VAL A 8 7.760 4.898 4.448 1.00 0.00 C ATOM 96 CG2 VAL A 8 6.757 5.400 2.210 1.00 0.00 C ATOM 0 H VAL A 8 9.703 2.621 3.828 1.00 0.00 H new ATOM 0 HA VAL A 8 7.978 3.032 1.550 1.00 0.00 H new ATOM 0 HB VAL A 8 6.413 3.610 3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.960 5.464 4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.092 4.104 5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.596 5.563 4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.961 5.961 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.586 6.070 1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.378 4.964 1.286 1.00 0.00 H new ATOM 106 N THR A 9 9.346 5.130 0.989 1.00 0.00 N ATOM 107 CA THR A 9 10.377 6.035 0.504 1.00 0.00 C ATOM 108 C THR A 9 9.747 7.209 -0.245 1.00 0.00 C ATOM 109 O THR A 9 8.975 7.016 -1.185 1.00 0.00 O ATOM 110 CB THR A 9 11.329 5.264 -0.416 1.00 0.00 C ATOM 111 OG1 THR A 9 12.278 4.563 0.375 1.00 0.00 O ATOM 112 CG2 THR A 9 12.063 6.229 -1.354 1.00 0.00 C ATOM 0 H THR A 9 8.499 5.111 0.421 1.00 0.00 H new ATOM 0 HA THR A 9 10.935 6.434 1.351 1.00 0.00 H new ATOM 0 HB THR A 9 10.751 4.561 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.958 4.511 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.736 5.666 -2.001 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.337 6.766 -1.964 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.639 6.942 -0.764 1.00 0.00 H new ATOM 120 N VAL A 10 10.088 8.423 0.178 1.00 0.00 N ATOM 121 CA VAL A 10 9.565 9.629 -0.446 1.00 0.00 C ATOM 122 C VAL A 10 10.501 10.092 -1.553 1.00 0.00 C ATOM 123 O VAL A 10 11.539 10.705 -1.295 1.00 0.00 O ATOM 124 CB VAL A 10 9.401 10.740 0.600 1.00 0.00 C ATOM 125 CG1 VAL A 10 8.105 10.518 1.385 1.00 0.00 C ATOM 126 CG2 VAL A 10 10.590 10.727 1.568 1.00 0.00 C ATOM 0 H VAL A 10 10.727 8.595 0.954 1.00 0.00 H new ATOM 0 HA VAL A 10 8.589 9.405 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 10 9.361 11.704 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.990 11.308 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.257 10.537 0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.145 9.551 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.466 11.518 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.637 9.762 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.513 10.891 1.012 1.00 0.00 H new ATOM 136 N ASN A 11 10.123 9.792 -2.785 1.00 0.00 N ATOM 137 CA ASN A 11 10.923 10.173 -3.942 1.00 0.00 C ATOM 138 C ASN A 11 10.685 11.641 -4.284 1.00 0.00 C ATOM 139 O ASN A 11 10.236 12.419 -3.442 1.00 0.00 O ATOM 140 CB ASN A 11 10.554 9.299 -5.149 1.00 0.00 C ATOM 141 CG ASN A 11 10.574 7.820 -4.763 1.00 0.00 C ATOM 142 OD1 ASN A 11 9.884 7.410 -3.830 1.00 0.00 O ATOM 143 ND2 ASN A 11 11.321 6.989 -5.438 1.00 0.00 N ATOM 0 H ASN A 11 9.267 9.286 -3.012 1.00 0.00 H new ATOM 0 HA ASN A 11 11.976 10.027 -3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.564 9.572 -5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.256 9.478 -5.964 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.333 5.999 -5.192 1.00 0.00 H new ATOM 0 HD22 ASN A 11 11.893 7.330 -6.211 1.00 0.00 H new ATOM 150 N ASP A 12 10.969 12.005 -5.531 1.00 0.00 N ATOM 151 CA ASP A 12 10.761 13.372 -5.992 1.00 0.00 C ATOM 152 C ASP A 12 9.554 13.397 -6.915 1.00 0.00 C ATOM 153 O ASP A 12 9.299 14.382 -7.609 1.00 0.00 O ATOM 154 CB ASP A 12 12.000 13.874 -6.741 1.00 0.00 C ATOM 155 CG ASP A 12 13.125 14.171 -5.752 1.00 0.00 C ATOM 156 OD1 ASP A 12 12.943 15.047 -4.923 1.00 0.00 O ATOM 157 OD2 ASP A 12 14.154 13.522 -5.843 1.00 0.00 O ATOM 0 H ASP A 12 11.343 11.373 -6.239 1.00 0.00 H new ATOM 0 HA ASP A 12 10.589 14.024 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.327 13.125 -7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.754 14.774 -7.305 1.00 0.00 H new ATOM 162 N ASP A 13 8.829 12.283 -6.919 1.00 0.00 N ATOM 163 CA ASP A 13 7.652 12.136 -7.762 1.00 0.00 C ATOM 164 C ASP A 13 6.433 11.779 -6.914 1.00 0.00 C ATOM 165 O ASP A 13 5.292 11.946 -7.346 1.00 0.00 O ATOM 166 CB ASP A 13 7.918 11.033 -8.789 1.00 0.00 C ATOM 167 CG ASP A 13 6.744 10.901 -9.755 1.00 0.00 C ATOM 168 OD1 ASP A 13 6.273 11.920 -10.235 1.00 0.00 O ATOM 169 OD2 ASP A 13 6.336 9.780 -10.008 1.00 0.00 O ATOM 0 H ASP A 13 9.039 11.467 -6.345 1.00 0.00 H new ATOM 0 HA ASP A 13 7.449 13.077 -8.273 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.829 11.258 -9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.083 10.085 -8.277 1.00 0.00 H new ATOM 174 N GLY A 14 6.690 11.290 -5.704 1.00 0.00 N ATOM 175 CA GLY A 14 5.619 10.911 -4.792 1.00 0.00 C ATOM 176 C GLY A 14 6.169 10.085 -3.636 1.00 0.00 C ATOM 177 O GLY A 14 7.071 10.526 -2.921 1.00 0.00 O ATOM 0 H GLY A 14 7.630 11.148 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.128 11.805 -4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.863 10.338 -5.328 1.00 0.00 H new ATOM 181 N LEU A 15 5.623 8.885 -3.455 1.00 0.00 N ATOM 182 CA LEU A 15 6.071 8.014 -2.374 1.00 0.00 C ATOM 183 C LEU A 15 5.931 6.542 -2.751 1.00 0.00 C ATOM 184 O LEU A 15 4.925 6.128 -3.330 1.00 0.00 O ATOM 185 CB LEU A 15 5.254 8.290 -1.107 1.00 0.00 C ATOM 186 CG LEU A 15 3.781 8.521 -1.471 1.00 0.00 C ATOM 187 CD1 LEU A 15 2.895 7.581 -0.649 1.00 0.00 C ATOM 188 CD2 LEU A 15 3.400 9.974 -1.166 1.00 0.00 C ATOM 0 H LEU A 15 4.879 8.498 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 15 7.125 8.226 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.339 7.449 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.651 9.165 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 15 3.636 8.321 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.849 7.747 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.163 6.547 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.041 7.780 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.354 10.138 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.547 10.174 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.028 10.645 -1.752 1.00 0.00 H new ATOM 200 N VAL A 16 6.945 5.755 -2.394 1.00 0.00 N ATOM 201 CA VAL A 16 6.938 4.322 -2.667 1.00 0.00 C ATOM 202 C VAL A 16 6.522 3.573 -1.405 1.00 0.00 C ATOM 203 O VAL A 16 7.292 3.480 -0.450 1.00 0.00 O ATOM 204 CB VAL A 16 8.332 3.866 -3.119 1.00 0.00 C ATOM 205 CG1 VAL A 16 8.404 2.335 -3.126 1.00 0.00 C ATOM 206 CG2 VAL A 16 8.606 4.393 -4.531 1.00 0.00 C ATOM 0 H VAL A 16 7.782 6.088 -1.915 1.00 0.00 H new ATOM 0 HA VAL A 16 6.228 4.107 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 16 9.079 4.257 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.396 2.019 -3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.211 1.957 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.656 1.939 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.596 4.070 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.855 4.002 -5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.563 5.482 -4.528 1.00 0.00 H new ATOM 216 N LEU A 17 5.296 3.058 -1.401 1.00 0.00 N ATOM 217 CA LEU A 17 4.774 2.340 -0.242 1.00 0.00 C ATOM 218 C LEU A 17 5.144 0.858 -0.299 1.00 0.00 C ATOM 219 O LEU A 17 4.684 0.122 -1.173 1.00 0.00 O ATOM 220 CB LEU A 17 3.250 2.508 -0.190 1.00 0.00 C ATOM 221 CG LEU A 17 2.629 1.510 0.795 1.00 0.00 C ATOM 222 CD1 LEU A 17 3.297 1.640 2.168 1.00 0.00 C ATOM 223 CD2 LEU A 17 1.131 1.803 0.930 1.00 0.00 C ATOM 0 H LEU A 17 4.647 3.124 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 17 5.220 2.757 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.001 3.526 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.828 2.357 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 17 2.778 0.497 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.849 0.927 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.363 1.434 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.155 2.652 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.684 1.097 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.991 2.818 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.651 1.703 -0.044 1.00 0.00 H new ATOM 235 N ARG A 18 5.977 0.442 0.652 1.00 0.00 N ATOM 236 CA ARG A 18 6.428 -0.945 0.746 1.00 0.00 C ATOM 237 C ARG A 18 5.826 -1.597 1.985 1.00 0.00 C ATOM 238 O ARG A 18 5.947 -1.069 3.089 1.00 0.00 O ATOM 239 CB ARG A 18 7.958 -0.975 0.824 1.00 0.00 C ATOM 240 CG ARG A 18 8.536 0.155 -0.033 1.00 0.00 C ATOM 241 CD ARG A 18 10.065 0.106 0.005 1.00 0.00 C ATOM 242 NE ARG A 18 10.617 1.376 -0.460 1.00 0.00 N ATOM 243 CZ ARG A 18 11.360 1.449 -1.561 1.00 0.00 C ATOM 244 NH1 ARG A 18 11.180 0.596 -2.534 1.00 0.00 N ATOM 245 NH2 ARG A 18 12.268 2.379 -1.672 1.00 0.00 N ATOM 0 H ARG A 18 6.357 1.053 1.375 1.00 0.00 H new ATOM 0 HA ARG A 18 6.103 -1.498 -0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.282 -0.863 1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.332 -1.938 0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.186 0.060 -1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.185 1.119 0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.405 -0.098 1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.427 -0.709 -0.622 1.00 0.00 H new ATOM 0 HE ARG A 18 10.428 2.226 0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.468 -0.129 -2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.752 0.655 -3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.407 3.049 -0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.839 2.437 -2.515 1.00 0.00 H new ATOM 259 N LEU A 19 5.160 -2.737 1.809 1.00 0.00 N ATOM 260 CA LEU A 19 4.542 -3.400 2.952 1.00 0.00 C ATOM 261 C LEU A 19 4.489 -4.914 2.800 1.00 0.00 C ATOM 262 O LEU A 19 4.840 -5.478 1.762 1.00 0.00 O ATOM 263 CB LEU A 19 3.121 -2.863 3.164 1.00 0.00 C ATOM 264 CG LEU A 19 2.255 -3.135 1.926 1.00 0.00 C ATOM 265 CD1 LEU A 19 0.815 -3.435 2.364 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.260 -1.903 1.017 1.00 0.00 C ATOM 0 H LEU A 19 5.037 -3.209 0.913 1.00 0.00 H new ATOM 0 HA LEU A 19 5.167 -3.180 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.674 -3.335 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.156 -1.792 3.363 1.00 0.00 H new ATOM 0 HG LEU A 19 2.658 -3.990 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.200 -3.628 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.807 -4.311 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.414 -2.579 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.645 -2.097 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.857 -1.048 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.281 -1.686 0.704 1.00 0.00 H new ATOM 278 N TYR A 20 4.023 -5.546 3.872 1.00 0.00 N ATOM 279 CA TYR A 20 3.873 -6.991 3.946 1.00 0.00 C ATOM 280 C TYR A 20 2.388 -7.331 3.850 1.00 0.00 C ATOM 281 O TYR A 20 1.674 -7.343 4.855 1.00 0.00 O ATOM 282 CB TYR A 20 4.444 -7.479 5.283 1.00 0.00 C ATOM 283 CG TYR A 20 4.895 -8.920 5.186 1.00 0.00 C ATOM 284 CD1 TYR A 20 5.828 -9.307 4.215 1.00 0.00 C ATOM 285 CD2 TYR A 20 4.394 -9.864 6.090 1.00 0.00 C ATOM 286 CE1 TYR A 20 6.256 -10.639 4.150 1.00 0.00 C ATOM 287 CE2 TYR A 20 4.818 -11.193 6.024 1.00 0.00 C ATOM 288 CZ TYR A 20 5.752 -11.582 5.055 1.00 0.00 C ATOM 289 OH TYR A 20 6.178 -12.894 4.995 1.00 0.00 O ATOM 0 H TYR A 20 3.736 -5.062 4.723 1.00 0.00 H new ATOM 0 HA TYR A 20 4.408 -7.478 3.131 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.285 -6.850 5.575 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.688 -7.382 6.062 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.216 -8.579 3.518 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.678 -9.564 6.840 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.975 -10.939 3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.426 -11.920 6.720 1.00 0.00 H new ATOM 0 HH TYR A 20 5.731 -13.415 5.694 1.00 0.00 H new ATOM 299 N ILE A 21 1.922 -7.568 2.629 1.00 0.00 N ATOM 300 CA ILE A 21 0.513 -7.863 2.402 1.00 0.00 C ATOM 301 C ILE A 21 0.160 -9.273 2.874 1.00 0.00 C ATOM 302 O ILE A 21 0.849 -10.243 2.552 1.00 0.00 O ATOM 303 CB ILE A 21 0.197 -7.682 0.908 1.00 0.00 C ATOM 304 CG1 ILE A 21 -0.324 -6.262 0.674 1.00 0.00 C ATOM 305 CG2 ILE A 21 -0.857 -8.682 0.435 1.00 0.00 C ATOM 306 CD1 ILE A 21 -1.743 -6.116 1.240 1.00 0.00 C ATOM 0 H ILE A 21 2.496 -7.562 1.786 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.096 -7.171 2.984 1.00 0.00 H new ATOM 0 HB ILE A 21 1.113 -7.855 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.341 -5.540 1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.326 -6.039 -0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.057 -8.526 -0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.491 -9.697 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.776 -8.537 1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.101 -5.101 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.407 -6.825 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.730 -6.318 2.311 1.00 0.00 H new ATOM 318 N GLN A 22 -0.924 -9.363 3.646 1.00 0.00 N ATOM 319 CA GLN A 22 -1.392 -10.639 4.179 1.00 0.00 C ATOM 320 C GLN A 22 -2.864 -10.850 3.810 1.00 0.00 C ATOM 321 O GLN A 22 -3.763 -10.464 4.556 1.00 0.00 O ATOM 322 CB GLN A 22 -1.230 -10.652 5.707 1.00 0.00 C ATOM 323 CG GLN A 22 -0.691 -12.010 6.169 1.00 0.00 C ATOM 324 CD GLN A 22 -1.562 -13.142 5.630 1.00 0.00 C ATOM 325 OE1 GLN A 22 -1.048 -14.107 5.066 1.00 0.00 O ATOM 326 NE2 GLN A 22 -2.859 -13.079 5.767 1.00 0.00 N ATOM 0 H GLN A 22 -1.495 -8.562 3.916 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.799 -11.446 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.549 -9.858 6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.190 -10.452 6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.335 -12.137 5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.668 -12.048 7.258 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.284 -12.278 6.235 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.447 -13.830 5.406 1.00 0.00 H new ATOM 335 N PRO A 23 -3.122 -11.440 2.671 1.00 0.00 N ATOM 336 CA PRO A 23 -4.508 -11.692 2.190 1.00 0.00 C ATOM 337 C PRO A 23 -5.187 -12.845 2.922 1.00 0.00 C ATOM 338 O PRO A 23 -4.525 -13.679 3.541 1.00 0.00 O ATOM 339 CB PRO A 23 -4.343 -12.014 0.695 1.00 0.00 C ATOM 340 CG PRO A 23 -2.877 -11.928 0.387 1.00 0.00 C ATOM 341 CD PRO A 23 -2.128 -11.934 1.718 1.00 0.00 C ATOM 0 HA PRO A 23 -5.150 -10.830 2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.727 -13.009 0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.907 -11.309 0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.565 -12.769 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.655 -11.020 -0.174 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.783 -12.934 1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.248 -11.291 1.686 1.00 0.00 H new ATOM 349 N LYS A 24 -6.519 -12.875 2.836 1.00 0.00 N ATOM 350 CA LYS A 24 -7.322 -13.919 3.474 1.00 0.00 C ATOM 351 C LYS A 24 -7.380 -13.724 4.986 1.00 0.00 C ATOM 352 O LYS A 24 -7.173 -14.669 5.750 1.00 0.00 O ATOM 353 CB LYS A 24 -6.764 -15.312 3.150 1.00 0.00 C ATOM 354 CG LYS A 24 -6.595 -15.468 1.634 1.00 0.00 C ATOM 355 CD LYS A 24 -5.735 -16.700 1.336 1.00 0.00 C ATOM 356 CE LYS A 24 -4.256 -16.305 1.320 1.00 0.00 C ATOM 357 NZ LYS A 24 -3.417 -17.510 1.566 1.00 0.00 N ATOM 0 H LYS A 24 -7.067 -12.182 2.326 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.334 -13.842 3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.805 -15.454 3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.437 -16.080 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.570 -15.569 1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.127 -14.576 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.908 -17.468 2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.017 -17.129 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.998 -15.859 0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.062 -15.552 2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.412 -17.242 1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.657 -17.917 2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.595 -18.215 0.822 1.00 0.00 H new ATOM 371 N ALA A 25 -7.682 -12.500 5.416 1.00 0.00 N ATOM 372 CA ALA A 25 -7.787 -12.205 6.831 1.00 0.00 C ATOM 373 C ALA A 25 -9.255 -12.206 7.228 1.00 0.00 C ATOM 374 O ALA A 25 -9.693 -13.029 8.035 1.00 0.00 O ATOM 375 CB ALA A 25 -7.168 -10.836 7.109 1.00 0.00 C ATOM 0 H ALA A 25 -7.856 -11.704 4.802 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.256 -12.959 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.245 -10.611 8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.118 -10.845 6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.698 -10.074 6.537 1.00 0.00 H new ATOM 381 N SER A 26 -9.999 -11.276 6.633 1.00 0.00 N ATOM 382 CA SER A 26 -11.432 -11.125 6.876 1.00 0.00 C ATOM 383 C SER A 26 -11.827 -9.679 6.623 1.00 0.00 C ATOM 384 O SER A 26 -12.961 -9.390 6.242 1.00 0.00 O ATOM 385 CB SER A 26 -11.793 -11.506 8.318 1.00 0.00 C ATOM 386 OG SER A 26 -13.044 -10.922 8.663 1.00 0.00 O ATOM 0 H SER A 26 -9.623 -10.603 5.965 1.00 0.00 H new ATOM 0 HA SER A 26 -11.971 -11.791 6.202 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.846 -12.590 8.417 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.017 -11.161 9.002 1.00 0.00 H new ATOM 0 HG SER A 26 -13.276 -11.166 9.583 1.00 0.00 H new ATOM 392 N ARG A 27 -10.864 -8.783 6.833 1.00 0.00 N ATOM 393 CA ARG A 27 -11.077 -7.347 6.634 1.00 0.00 C ATOM 394 C ARG A 27 -9.734 -6.633 6.547 1.00 0.00 C ATOM 395 O ARG A 27 -8.800 -6.976 7.271 1.00 0.00 O ATOM 396 CB ARG A 27 -11.870 -6.747 7.806 1.00 0.00 C ATOM 397 CG ARG A 27 -13.299 -7.302 7.830 1.00 0.00 C ATOM 398 CD ARG A 27 -14.168 -6.449 8.758 1.00 0.00 C ATOM 399 NE ARG A 27 -15.374 -7.183 9.132 1.00 0.00 N ATOM 400 CZ ARG A 27 -16.209 -6.719 10.060 1.00 0.00 C ATOM 401 NH1 ARG A 27 -15.974 -5.575 10.642 1.00 0.00 N ATOM 402 NH2 ARG A 27 -17.263 -7.413 10.393 1.00 0.00 N ATOM 0 H ARG A 27 -9.923 -9.026 7.143 1.00 0.00 H new ATOM 0 HA ARG A 27 -11.639 -7.214 5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.369 -6.976 8.747 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.897 -5.661 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.716 -7.302 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -13.292 -8.337 8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.605 -6.181 9.652 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -14.439 -5.518 8.261 1.00 0.00 H new ATOM 0 HE ARG A 27 -15.581 -8.070 8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.149 -5.033 10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.616 -5.223 11.352 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -17.446 -8.310 9.943 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.903 -7.059 11.104 1.00 0.00 H new ATOM 416 N ASP A 28 -9.646 -5.634 5.673 1.00 0.00 N ATOM 417 CA ASP A 28 -8.411 -4.874 5.514 1.00 0.00 C ATOM 418 C ASP A 28 -8.083 -4.143 6.802 1.00 0.00 C ATOM 419 O ASP A 28 -8.573 -3.041 7.059 1.00 0.00 O ATOM 420 CB ASP A 28 -8.512 -3.869 4.365 1.00 0.00 C ATOM 421 CG ASP A 28 -9.934 -3.811 3.810 1.00 0.00 C ATOM 422 OD1 ASP A 28 -10.792 -3.271 4.489 1.00 0.00 O ATOM 423 OD2 ASP A 28 -10.141 -4.306 2.715 1.00 0.00 O ATOM 0 H ASP A 28 -10.410 -5.334 5.068 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.615 -5.580 5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.214 -2.881 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.819 -4.148 3.571 1.00 0.00 H new ATOM 428 N SER A 29 -7.262 -4.785 7.611 1.00 0.00 N ATOM 429 CA SER A 29 -6.864 -4.223 8.900 1.00 0.00 C ATOM 430 C SER A 29 -5.346 -4.095 9.021 1.00 0.00 C ATOM 431 O SER A 29 -4.613 -5.068 8.842 1.00 0.00 O ATOM 432 CB SER A 29 -7.390 -5.108 10.031 1.00 0.00 C ATOM 433 OG SER A 29 -6.662 -6.330 10.054 1.00 0.00 O ATOM 0 H SER A 29 -6.854 -5.697 7.404 1.00 0.00 H new ATOM 0 HA SER A 29 -7.293 -3.223 8.972 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.289 -4.594 10.987 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.452 -5.307 9.887 1.00 0.00 H new ATOM 0 HG SER A 29 -5.777 -6.191 9.657 1.00 0.00 H new ATOM 439 N ILE A 30 -4.890 -2.888 9.357 1.00 0.00 N ATOM 440 CA ILE A 30 -3.463 -2.629 9.541 1.00 0.00 C ATOM 441 C ILE A 30 -3.114 -2.838 11.016 1.00 0.00 C ATOM 442 O ILE A 30 -2.738 -1.908 11.731 1.00 0.00 O ATOM 443 CB ILE A 30 -3.113 -1.197 9.093 1.00 0.00 C ATOM 444 CG1 ILE A 30 -4.385 -0.335 9.029 1.00 0.00 C ATOM 445 CG2 ILE A 30 -2.466 -1.243 7.704 1.00 0.00 C ATOM 446 CD1 ILE A 30 -4.045 1.051 8.472 1.00 0.00 C ATOM 0 H ILE A 30 -5.488 -2.075 9.507 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.881 -3.318 8.929 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.421 -0.760 9.813 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.131 -0.818 8.398 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.822 -0.240 10.023 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.217 -0.231 7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.558 -1.844 7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.162 -1.687 6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.950 1.658 8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.314 1.535 9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.629 0.948 7.470 1.00 0.00 H new ATOM 458 N VAL A 31 -3.297 -4.078 11.457 1.00 0.00 N ATOM 459 CA VAL A 31 -3.067 -4.475 12.845 1.00 0.00 C ATOM 460 C VAL A 31 -1.686 -5.090 13.051 1.00 0.00 C ATOM 461 O VAL A 31 -1.443 -5.779 14.042 1.00 0.00 O ATOM 462 CB VAL A 31 -4.156 -5.464 13.241 1.00 0.00 C ATOM 463 CG1 VAL A 31 -3.686 -6.908 13.020 1.00 0.00 C ATOM 464 CG2 VAL A 31 -4.535 -5.255 14.711 1.00 0.00 C ATOM 0 H VAL A 31 -3.611 -4.842 10.859 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.105 -3.587 13.476 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.030 -5.288 12.614 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.479 -7.597 13.309 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.444 -7.055 11.967 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.800 -7.099 13.626 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.314 -5.964 14.990 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.658 -5.413 15.339 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.903 -4.238 14.851 1.00 0.00 H new ATOM 474 N GLY A 32 -0.794 -4.852 12.108 1.00 0.00 N ATOM 475 CA GLY A 32 0.552 -5.414 12.193 1.00 0.00 C ATOM 476 C GLY A 32 1.583 -4.421 11.700 1.00 0.00 C ATOM 477 O GLY A 32 2.698 -4.784 11.327 1.00 0.00 O ATOM 0 H GLY A 32 -0.968 -4.281 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.771 -5.690 13.225 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.608 -6.327 11.600 1.00 0.00 H new ATOM 481 N LEU A 33 1.205 -3.157 11.738 1.00 0.00 N ATOM 482 CA LEU A 33 2.092 -2.090 11.328 1.00 0.00 C ATOM 483 C LEU A 33 3.349 -2.106 12.185 1.00 0.00 C ATOM 484 O LEU A 33 3.278 -2.007 13.411 1.00 0.00 O ATOM 485 CB LEU A 33 1.361 -0.762 11.475 1.00 0.00 C ATOM 486 CG LEU A 33 0.185 -0.727 10.498 1.00 0.00 C ATOM 487 CD1 LEU A 33 -0.340 0.707 10.385 1.00 0.00 C ATOM 488 CD2 LEU A 33 0.650 -1.219 9.123 1.00 0.00 C ATOM 0 H LEU A 33 0.285 -2.846 12.050 1.00 0.00 H new ATOM 0 HA LEU A 33 2.386 -2.227 10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.004 -0.641 12.498 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.041 0.066 11.274 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.613 -1.375 10.861 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.178 0.734 9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.671 1.052 11.365 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.455 1.358 10.021 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.187 -1.195 8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.447 -0.573 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.021 -2.240 9.208 1.00 0.00 H new ATOM 500 N HIS A 34 4.495 -2.265 11.534 1.00 0.00 N ATOM 501 CA HIS A 34 5.762 -2.332 12.246 1.00 0.00 C ATOM 502 C HIS A 34 6.629 -1.102 11.965 1.00 0.00 C ATOM 503 O HIS A 34 6.489 -0.450 10.932 1.00 0.00 O ATOM 504 CB HIS A 34 6.495 -3.615 11.828 1.00 0.00 C ATOM 505 CG HIS A 34 7.689 -3.854 12.714 1.00 0.00 C ATOM 506 ND1 HIS A 34 7.810 -3.283 13.971 1.00 0.00 N ATOM 507 CD2 HIS A 34 8.818 -4.617 12.541 1.00 0.00 C ATOM 508 CE1 HIS A 34 8.971 -3.706 14.500 1.00 0.00 C ATOM 509 NE2 HIS A 34 9.626 -4.522 13.670 1.00 0.00 N ATOM 0 H HIS A 34 4.572 -2.349 10.520 1.00 0.00 H new ATOM 0 HA HIS A 34 5.566 -2.348 13.318 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.815 -4.465 11.887 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.816 -3.535 10.789 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.044 -5.202 11.662 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.331 -3.421 15.478 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.525 -4.977 13.829 1.00 0.00 H new ATOM 517 N GLY A 35 7.526 -0.790 12.899 1.00 0.00 N ATOM 518 CA GLY A 35 8.412 0.357 12.746 1.00 0.00 C ATOM 519 C GLY A 35 9.391 0.131 11.599 1.00 0.00 C ATOM 520 O GLY A 35 9.968 1.080 11.065 1.00 0.00 O ATOM 0 H GLY A 35 7.656 -1.314 13.764 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.824 1.255 12.557 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.961 0.525 13.672 1.00 0.00 H new ATOM 524 N ASP A 36 9.568 -1.135 11.224 1.00 0.00 N ATOM 525 CA ASP A 36 10.474 -1.489 10.136 1.00 0.00 C ATOM 526 C ASP A 36 9.725 -2.223 9.032 1.00 0.00 C ATOM 527 O ASP A 36 10.297 -2.534 7.988 1.00 0.00 O ATOM 528 CB ASP A 36 11.594 -2.390 10.652 1.00 0.00 C ATOM 529 CG ASP A 36 12.194 -1.814 11.932 1.00 0.00 C ATOM 530 OD1 ASP A 36 13.013 -0.917 11.828 1.00 0.00 O ATOM 531 OD2 ASP A 36 11.825 -2.279 12.997 1.00 0.00 O ATOM 0 H ASP A 36 9.097 -1.929 11.657 1.00 0.00 H new ATOM 0 HA ASP A 36 10.896 -0.566 9.737 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.206 -3.390 10.843 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.369 -2.489 9.892 1.00 0.00 H new ATOM 536 N GLU A 37 8.448 -2.508 9.271 1.00 0.00 N ATOM 537 CA GLU A 37 7.640 -3.214 8.282 1.00 0.00 C ATOM 538 C GLU A 37 6.180 -2.774 8.366 1.00 0.00 C ATOM 539 O GLU A 37 5.823 -1.920 9.171 1.00 0.00 O ATOM 540 CB GLU A 37 7.723 -4.732 8.505 1.00 0.00 C ATOM 541 CG GLU A 37 9.188 -5.160 8.672 1.00 0.00 C ATOM 542 CD GLU A 37 9.297 -6.680 8.806 1.00 0.00 C ATOM 543 OE1 GLU A 37 8.268 -7.340 8.800 1.00 0.00 O ATOM 544 OE2 GLU A 37 10.412 -7.163 8.914 1.00 0.00 O ATOM 0 H GLU A 37 7.955 -2.264 10.130 1.00 0.00 H new ATOM 0 HA GLU A 37 8.032 -2.971 7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.152 -5.009 9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.276 -5.257 7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.770 -4.823 7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.613 -4.681 9.554 1.00 0.00 H new ATOM 551 N VAL A 38 5.340 -3.373 7.533 1.00 0.00 N ATOM 552 CA VAL A 38 3.915 -3.052 7.520 1.00 0.00 C ATOM 553 C VAL A 38 3.117 -4.327 7.296 1.00 0.00 C ATOM 554 O VAL A 38 3.161 -4.907 6.215 1.00 0.00 O ATOM 555 CB VAL A 38 3.607 -2.043 6.405 1.00 0.00 C ATOM 556 CG1 VAL A 38 2.114 -2.090 6.044 1.00 0.00 C ATOM 557 CG2 VAL A 38 3.967 -0.631 6.879 1.00 0.00 C ATOM 0 H VAL A 38 5.618 -4.084 6.857 1.00 0.00 H new ATOM 0 HA VAL A 38 3.638 -2.609 8.477 1.00 0.00 H new ATOM 0 HB VAL A 38 4.196 -2.300 5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.908 -1.370 5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.854 -3.091 5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.519 -1.842 6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.748 0.085 6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.381 -0.384 7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.028 -0.589 7.123 1.00 0.00 H new ATOM 567 N LYS A 39 2.395 -4.771 8.318 1.00 0.00 N ATOM 568 CA LYS A 39 1.614 -5.988 8.185 1.00 0.00 C ATOM 569 C LYS A 39 0.126 -5.676 8.177 1.00 0.00 C ATOM 570 O LYS A 39 -0.477 -5.410 9.218 1.00 0.00 O ATOM 571 CB LYS A 39 1.961 -6.968 9.307 1.00 0.00 C ATOM 572 CG LYS A 39 2.728 -8.143 8.703 1.00 0.00 C ATOM 573 CD LYS A 39 3.021 -9.196 9.776 1.00 0.00 C ATOM 574 CE LYS A 39 1.710 -9.806 10.280 1.00 0.00 C ATOM 575 NZ LYS A 39 1.995 -11.095 10.973 1.00 0.00 N ATOM 0 H LYS A 39 2.336 -4.316 9.229 1.00 0.00 H new ATOM 0 HA LYS A 39 1.863 -6.456 7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.564 -6.474 10.069 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.053 -7.320 9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.147 -8.589 7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.662 -7.790 8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.662 -9.977 9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.563 -8.742 10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.214 -9.116 10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.029 -9.973 9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.105 -11.509 11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.450 -11.753 10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.629 -10.923 11.779 1.00 0.00 H new ATOM 589 N VAL A 40 -0.453 -5.718 6.982 1.00 0.00 N ATOM 590 CA VAL A 40 -1.872 -5.449 6.810 1.00 0.00 C ATOM 591 C VAL A 40 -2.580 -6.711 6.341 1.00 0.00 C ATOM 592 O VAL A 40 -2.082 -7.426 5.468 1.00 0.00 O ATOM 593 CB VAL A 40 -2.077 -4.322 5.787 1.00 0.00 C ATOM 594 CG1 VAL A 40 -1.649 -4.795 4.392 1.00 0.00 C ATOM 595 CG2 VAL A 40 -3.556 -3.920 5.754 1.00 0.00 C ATOM 0 H VAL A 40 0.042 -5.937 6.117 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.292 -5.136 7.766 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.470 -3.465 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.798 -3.989 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.596 -5.075 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.249 -5.657 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.700 -3.120 5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.161 -4.781 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.861 -3.572 6.741 1.00 0.00 H new ATOM 605 N ALA A 41 -3.737 -6.983 6.929 1.00 0.00 N ATOM 606 CA ALA A 41 -4.501 -8.164 6.564 1.00 0.00 C ATOM 607 C ALA A 41 -5.623 -7.783 5.613 1.00 0.00 C ATOM 608 O ALA A 41 -6.707 -7.400 6.045 1.00 0.00 O ATOM 609 CB ALA A 41 -5.086 -8.822 7.817 1.00 0.00 C ATOM 0 H ALA A 41 -4.163 -6.406 7.655 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.837 -8.872 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.656 -9.706 7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.277 -9.113 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.742 -8.116 8.326 1.00 0.00 H new ATOM 615 N ILE A 42 -5.363 -7.894 4.315 1.00 0.00 N ATOM 616 CA ILE A 42 -6.377 -7.557 3.326 1.00 0.00 C ATOM 617 C ILE A 42 -7.354 -8.722 3.187 1.00 0.00 C ATOM 618 O ILE A 42 -6.985 -9.882 3.377 1.00 0.00 O ATOM 619 CB ILE A 42 -5.710 -7.234 1.980 1.00 0.00 C ATOM 620 CG1 ILE A 42 -6.774 -6.790 0.968 1.00 0.00 C ATOM 621 CG2 ILE A 42 -4.979 -8.469 1.444 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.095 -6.172 -0.258 1.00 0.00 C ATOM 0 H ILE A 42 -4.473 -8.210 3.929 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.929 -6.675 3.650 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.990 -6.429 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.382 -7.643 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.446 -6.065 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.510 -8.229 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.214 -8.777 2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.692 -9.281 1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.854 -5.858 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.506 -5.308 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.441 -6.910 -0.722 1.00 0.00 H new ATOM 634 N THR A 43 -8.606 -8.400 2.881 1.00 0.00 N ATOM 635 CA THR A 43 -9.641 -9.422 2.746 1.00 0.00 C ATOM 636 C THR A 43 -9.787 -9.865 1.290 1.00 0.00 C ATOM 637 O THR A 43 -10.865 -10.274 0.857 1.00 0.00 O ATOM 638 CB THR A 43 -10.975 -8.873 3.277 1.00 0.00 C ATOM 639 OG1 THR A 43 -12.023 -9.792 3.001 1.00 0.00 O ATOM 640 CG2 THR A 43 -11.283 -7.525 2.619 1.00 0.00 C ATOM 0 H THR A 43 -8.929 -7.446 2.722 1.00 0.00 H new ATOM 0 HA THR A 43 -9.351 -10.295 3.331 1.00 0.00 H new ATOM 0 HB THR A 43 -10.896 -8.735 4.355 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.057 -9.970 2.038 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.230 -7.142 3.000 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.486 -6.817 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.352 -7.655 1.539 1.00 0.00 H new ATOM 648 N ALA A 44 -8.691 -9.790 0.540 1.00 0.00 N ATOM 649 CA ALA A 44 -8.709 -10.192 -0.862 1.00 0.00 C ATOM 650 C ALA A 44 -8.168 -11.613 -1.028 1.00 0.00 C ATOM 651 O ALA A 44 -7.474 -12.129 -0.149 1.00 0.00 O ATOM 652 CB ALA A 44 -7.871 -9.226 -1.698 1.00 0.00 C ATOM 0 H ALA A 44 -7.787 -9.458 0.876 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.743 -10.168 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.892 -9.536 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.280 -8.220 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.842 -9.232 -1.338 1.00 0.00 H new ATOM 658 N PRO A 45 -8.470 -12.241 -2.140 1.00 0.00 N ATOM 659 CA PRO A 45 -8.011 -13.625 -2.454 1.00 0.00 C ATOM 660 C PRO A 45 -6.547 -13.659 -2.898 1.00 0.00 C ATOM 661 O PRO A 45 -5.897 -12.618 -3.001 1.00 0.00 O ATOM 662 CB PRO A 45 -8.945 -14.083 -3.591 1.00 0.00 C ATOM 663 CG PRO A 45 -9.894 -12.956 -3.853 1.00 0.00 C ATOM 664 CD PRO A 45 -9.284 -11.705 -3.231 1.00 0.00 C ATOM 0 HA PRO A 45 -8.057 -14.275 -1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.373 -14.323 -4.488 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.486 -14.986 -3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.045 -12.820 -4.924 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.871 -13.166 -3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.680 -11.151 -3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.050 -11.022 -2.864 1.00 0.00 H new ATOM 672 N PRO A 46 -6.022 -14.833 -3.154 1.00 0.00 N ATOM 673 CA PRO A 46 -4.607 -15.017 -3.587 1.00 0.00 C ATOM 674 C PRO A 46 -4.392 -14.669 -5.063 1.00 0.00 C ATOM 675 O PRO A 46 -3.300 -14.867 -5.595 1.00 0.00 O ATOM 676 CB PRO A 46 -4.323 -16.509 -3.334 1.00 0.00 C ATOM 677 CG PRO A 46 -5.580 -17.102 -2.769 1.00 0.00 C ATOM 678 CD PRO A 46 -6.713 -16.121 -3.058 1.00 0.00 C ATOM 0 HA PRO A 46 -3.937 -14.353 -3.041 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.041 -17.011 -4.260 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.492 -16.632 -2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.786 -18.071 -3.223 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.479 -17.267 -1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.234 -16.369 -3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.458 -16.120 -2.262 1.00 0.00 H new ATOM 686 N VAL A 47 -5.433 -14.154 -5.717 1.00 0.00 N ATOM 687 CA VAL A 47 -5.329 -13.789 -7.131 1.00 0.00 C ATOM 688 C VAL A 47 -5.090 -12.289 -7.286 1.00 0.00 C ATOM 689 O VAL A 47 -5.431 -11.502 -6.403 1.00 0.00 O ATOM 690 CB VAL A 47 -6.601 -14.202 -7.882 1.00 0.00 C ATOM 691 CG1 VAL A 47 -7.791 -13.380 -7.388 1.00 0.00 C ATOM 692 CG2 VAL A 47 -6.408 -13.965 -9.385 1.00 0.00 C ATOM 0 H VAL A 47 -6.347 -13.982 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.479 -14.319 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.795 -15.259 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.690 -13.680 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.934 -13.551 -6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.600 -12.321 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.312 -14.259 -9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.208 -12.909 -9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.567 -14.559 -9.742 1.00 0.00 H new ATOM 702 N ASP A 48 -4.497 -11.906 -8.415 1.00 0.00 N ATOM 703 CA ASP A 48 -4.205 -10.500 -8.685 1.00 0.00 C ATOM 704 C ASP A 48 -5.488 -9.710 -8.925 1.00 0.00 C ATOM 705 O ASP A 48 -5.790 -8.772 -8.196 1.00 0.00 O ATOM 706 CB ASP A 48 -3.304 -10.371 -9.917 1.00 0.00 C ATOM 707 CG ASP A 48 -2.497 -11.652 -10.124 1.00 0.00 C ATOM 708 OD1 ASP A 48 -1.414 -11.747 -9.570 1.00 0.00 O ATOM 709 OD2 ASP A 48 -2.978 -12.522 -10.833 1.00 0.00 O ATOM 0 H ASP A 48 -4.210 -12.547 -9.155 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.696 -10.095 -7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.911 -10.170 -10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.629 -9.524 -9.794 1.00 0.00 H new ATOM 714 N GLY A 49 -6.227 -10.092 -9.964 1.00 0.00 N ATOM 715 CA GLY A 49 -7.471 -9.409 -10.314 1.00 0.00 C ATOM 716 C GLY A 49 -8.221 -8.921 -9.075 1.00 0.00 C ATOM 717 O GLY A 49 -8.600 -7.753 -8.989 1.00 0.00 O ATOM 0 H GLY A 49 -5.987 -10.870 -10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.250 -8.561 -10.962 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.109 -10.086 -10.882 1.00 0.00 H new ATOM 721 N GLN A 50 -8.441 -9.825 -8.126 1.00 0.00 N ATOM 722 CA GLN A 50 -9.164 -9.485 -6.903 1.00 0.00 C ATOM 723 C GLN A 50 -8.293 -8.690 -5.925 1.00 0.00 C ATOM 724 O GLN A 50 -8.710 -7.642 -5.428 1.00 0.00 O ATOM 725 CB GLN A 50 -9.659 -10.765 -6.224 1.00 0.00 C ATOM 726 CG GLN A 50 -10.647 -11.491 -7.144 1.00 0.00 C ATOM 727 CD GLN A 50 -12.080 -11.178 -6.726 1.00 0.00 C ATOM 728 OE1 GLN A 50 -12.765 -10.400 -7.389 1.00 0.00 O ATOM 729 NE2 GLN A 50 -12.577 -11.743 -5.659 1.00 0.00 N ATOM 0 H GLN A 50 -8.131 -10.795 -8.178 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.010 -8.857 -7.183 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.815 -11.416 -5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.141 -10.522 -5.277 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.486 -11.184 -8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.474 -12.566 -7.100 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.007 -12.388 -5.111 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.535 -11.540 -5.374 1.00 0.00 H new ATOM 738 N ALA A 51 -7.090 -9.193 -5.642 1.00 0.00 N ATOM 739 CA ALA A 51 -6.188 -8.515 -4.708 1.00 0.00 C ATOM 740 C ALA A 51 -5.797 -7.137 -5.232 1.00 0.00 C ATOM 741 O ALA A 51 -6.090 -6.118 -4.605 1.00 0.00 O ATOM 742 CB ALA A 51 -4.930 -9.358 -4.489 1.00 0.00 C ATOM 0 H ALA A 51 -6.721 -10.056 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.711 -8.390 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.265 -8.846 -3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.209 -10.328 -4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.418 -9.502 -5.441 1.00 0.00 H new ATOM 748 N ASN A 52 -5.138 -7.122 -6.385 1.00 0.00 N ATOM 749 CA ASN A 52 -4.704 -5.880 -7.009 1.00 0.00 C ATOM 750 C ASN A 52 -5.839 -4.856 -7.023 1.00 0.00 C ATOM 751 O ASN A 52 -5.614 -3.669 -6.788 1.00 0.00 O ATOM 752 CB ASN A 52 -4.235 -6.168 -8.440 1.00 0.00 C ATOM 753 CG ASN A 52 -3.520 -4.952 -9.023 1.00 0.00 C ATOM 754 OD1 ASN A 52 -4.096 -3.865 -9.095 1.00 0.00 O ATOM 755 ND2 ASN A 52 -2.292 -5.071 -9.448 1.00 0.00 N ATOM 0 H ASN A 52 -4.892 -7.962 -6.908 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.879 -5.463 -6.432 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.565 -7.028 -8.443 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.090 -6.428 -9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.808 -4.264 -9.840 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.816 -5.971 -9.388 1.00 0.00 H new ATOM 762 N SER A 53 -7.057 -5.326 -7.293 1.00 0.00 N ATOM 763 CA SER A 53 -8.217 -4.438 -7.325 1.00 0.00 C ATOM 764 C SER A 53 -8.430 -3.783 -5.961 1.00 0.00 C ATOM 765 O SER A 53 -8.553 -2.561 -5.867 1.00 0.00 O ATOM 766 CB SER A 53 -9.470 -5.221 -7.718 1.00 0.00 C ATOM 767 OG SER A 53 -9.542 -5.309 -9.135 1.00 0.00 O ATOM 0 H SER A 53 -7.264 -6.305 -7.490 1.00 0.00 H new ATOM 0 HA SER A 53 -8.031 -3.660 -8.065 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.441 -6.219 -7.281 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.359 -4.727 -7.327 1.00 0.00 H new ATOM 0 HG SER A 53 -9.109 -6.136 -9.434 1.00 0.00 H new ATOM 773 N HIS A 54 -8.470 -4.601 -4.909 1.00 0.00 N ATOM 774 CA HIS A 54 -8.667 -4.084 -3.556 1.00 0.00 C ATOM 775 C HIS A 54 -7.608 -3.041 -3.222 1.00 0.00 C ATOM 776 O HIS A 54 -7.936 -1.910 -2.897 1.00 0.00 O ATOM 777 CB HIS A 54 -8.583 -5.215 -2.530 1.00 0.00 C ATOM 778 CG HIS A 54 -9.928 -5.453 -1.896 1.00 0.00 C ATOM 779 ND1 HIS A 54 -11.121 -5.181 -2.550 1.00 0.00 N ATOM 780 CD2 HIS A 54 -10.283 -5.940 -0.661 1.00 0.00 C ATOM 781 CE1 HIS A 54 -12.125 -5.503 -1.714 1.00 0.00 C ATOM 782 NE2 HIS A 54 -11.670 -5.971 -0.550 1.00 0.00 N ATOM 0 H HIS A 54 -8.370 -5.614 -4.967 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.656 -3.627 -3.516 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.236 -6.128 -3.014 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.852 -4.964 -1.762 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -11.219 -4.805 -3.493 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.591 -6.251 0.107 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -13.172 -5.396 -1.956 1.00 0.00 H new ATOM 790 N LEU A 55 -6.338 -3.435 -3.299 1.00 0.00 N ATOM 791 CA LEU A 55 -5.241 -2.516 -2.997 1.00 0.00 C ATOM 792 C LEU A 55 -5.494 -1.161 -3.646 1.00 0.00 C ATOM 793 O LEU A 55 -5.555 -0.134 -2.969 1.00 0.00 O ATOM 794 CB LEU A 55 -3.921 -3.087 -3.525 1.00 0.00 C ATOM 795 CG LEU A 55 -2.792 -2.857 -2.509 1.00 0.00 C ATOM 796 CD1 LEU A 55 -2.829 -1.414 -1.989 1.00 0.00 C ATOM 797 CD2 LEU A 55 -2.950 -3.828 -1.333 1.00 0.00 C ATOM 0 H LEU A 55 -6.044 -4.375 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.181 -2.392 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.031 -4.154 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.667 -2.614 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.836 -3.032 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.023 -1.266 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.703 -0.723 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.787 -1.226 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.148 -3.662 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.912 -3.659 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.903 -4.854 -1.699 1.00 0.00 H new ATOM 809 N VAL A 56 -5.648 -1.180 -4.965 1.00 0.00 N ATOM 810 CA VAL A 56 -5.906 0.035 -5.725 1.00 0.00 C ATOM 811 C VAL A 56 -7.126 0.763 -5.156 1.00 0.00 C ATOM 812 O VAL A 56 -7.251 1.979 -5.290 1.00 0.00 O ATOM 813 CB VAL A 56 -6.132 -0.335 -7.199 1.00 0.00 C ATOM 814 CG1 VAL A 56 -7.066 0.678 -7.873 1.00 0.00 C ATOM 815 CG2 VAL A 56 -4.785 -0.344 -7.929 1.00 0.00 C ATOM 0 H VAL A 56 -5.598 -2.027 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.049 0.705 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.592 -1.322 -7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.214 0.399 -8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.027 0.684 -7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.622 1.672 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.940 -0.606 -8.976 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.330 0.645 -7.866 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.125 -1.077 -7.465 1.00 0.00 H new ATOM 825 N LYS A 57 -8.015 0.006 -4.521 1.00 0.00 N ATOM 826 CA LYS A 57 -9.222 0.578 -3.928 1.00 0.00 C ATOM 827 C LYS A 57 -8.941 1.107 -2.520 1.00 0.00 C ATOM 828 O LYS A 57 -9.061 2.305 -2.266 1.00 0.00 O ATOM 829 CB LYS A 57 -10.322 -0.487 -3.867 1.00 0.00 C ATOM 830 CG LYS A 57 -11.696 0.187 -3.919 1.00 0.00 C ATOM 831 CD LYS A 57 -12.796 -0.876 -3.830 1.00 0.00 C ATOM 832 CE LYS A 57 -13.074 -1.211 -2.362 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.529 -2.626 -2.255 1.00 0.00 N ATOM 0 H LYS A 57 -7.924 -1.003 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.550 1.410 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.215 -1.182 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.227 -1.070 -2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.795 0.896 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.799 0.754 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.705 -0.513 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.491 -1.774 -4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.174 -1.061 -1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.836 -0.541 -1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.380 -2.966 -1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.540 -2.684 -2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.985 -3.217 -2.916 1.00 0.00 H new ATOM 847 N PHE A 58 -8.574 0.201 -1.610 1.00 0.00 N ATOM 848 CA PHE A 58 -8.285 0.576 -0.227 1.00 0.00 C ATOM 849 C PHE A 58 -7.299 1.741 -0.165 1.00 0.00 C ATOM 850 O PHE A 58 -7.465 2.658 0.638 1.00 0.00 O ATOM 851 CB PHE A 58 -7.707 -0.629 0.524 1.00 0.00 C ATOM 852 CG PHE A 58 -7.812 -0.409 2.019 1.00 0.00 C ATOM 853 CD1 PHE A 58 -9.068 -0.388 2.637 1.00 0.00 C ATOM 854 CD2 PHE A 58 -6.652 -0.232 2.787 1.00 0.00 C ATOM 855 CE1 PHE A 58 -9.165 -0.192 4.020 1.00 0.00 C ATOM 856 CE2 PHE A 58 -6.751 -0.035 4.169 1.00 0.00 C ATOM 857 CZ PHE A 58 -8.008 -0.014 4.786 1.00 0.00 C ATOM 0 H PHE A 58 -8.471 -0.794 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.217 0.892 0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.245 -1.535 0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.664 -0.777 0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.962 -0.523 2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.682 -0.248 2.312 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -10.134 -0.178 4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.857 0.101 4.760 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.084 0.139 5.852 1.00 0.00 H new ATOM 867 N LEU A 59 -6.275 1.702 -1.014 1.00 0.00 N ATOM 868 CA LEU A 59 -5.281 2.769 -1.033 1.00 0.00 C ATOM 869 C LEU A 59 -5.755 3.925 -1.907 1.00 0.00 C ATOM 870 O LEU A 59 -5.570 5.087 -1.560 1.00 0.00 O ATOM 871 CB LEU A 59 -3.942 2.244 -1.560 1.00 0.00 C ATOM 872 CG LEU A 59 -2.816 3.196 -1.136 1.00 0.00 C ATOM 873 CD1 LEU A 59 -2.338 2.832 0.273 1.00 0.00 C ATOM 874 CD2 LEU A 59 -1.645 3.079 -2.115 1.00 0.00 C ATOM 0 H LEU A 59 -6.114 0.954 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.147 3.126 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.753 1.244 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.974 2.162 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.192 4.219 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.538 3.509 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.169 2.920 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.966 1.807 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.847 3.757 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.271 2.055 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.982 3.342 -3.118 1.00 0.00 H new ATOM 886 N GLY A 60 -6.366 3.596 -3.041 1.00 0.00 N ATOM 887 CA GLY A 60 -6.859 4.620 -3.958 1.00 0.00 C ATOM 888 C GLY A 60 -7.875 5.532 -3.277 1.00 0.00 C ATOM 889 O GLY A 60 -7.954 6.720 -3.584 1.00 0.00 O ATOM 0 H GLY A 60 -6.531 2.637 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.023 5.215 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.318 4.144 -4.825 1.00 0.00 H new ATOM 893 N LYS A 61 -8.656 4.966 -2.358 1.00 0.00 N ATOM 894 CA LYS A 61 -9.669 5.740 -1.646 1.00 0.00 C ATOM 895 C LYS A 61 -9.045 6.539 -0.501 1.00 0.00 C ATOM 896 O LYS A 61 -9.453 7.668 -0.230 1.00 0.00 O ATOM 897 CB LYS A 61 -10.760 4.804 -1.107 1.00 0.00 C ATOM 898 CG LYS A 61 -10.273 4.107 0.168 1.00 0.00 C ATOM 899 CD LYS A 61 -11.108 2.847 0.424 1.00 0.00 C ATOM 900 CE LYS A 61 -12.593 3.215 0.511 1.00 0.00 C ATOM 901 NZ LYS A 61 -13.284 2.283 1.447 1.00 0.00 N ATOM 0 H LYS A 61 -8.607 3.983 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.116 6.446 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.666 5.372 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.018 4.061 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.220 3.842 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.353 4.786 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.949 2.126 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.788 2.370 1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.704 4.243 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.050 3.160 -0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.292 2.534 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.189 1.308 1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.854 2.357 2.391 1.00 0.00 H new ATOM 915 N GLN A 62 -8.058 5.945 0.169 1.00 0.00 N ATOM 916 CA GLN A 62 -7.392 6.614 1.283 1.00 0.00 C ATOM 917 C GLN A 62 -6.448 7.696 0.767 1.00 0.00 C ATOM 918 O GLN A 62 -6.391 8.796 1.317 1.00 0.00 O ATOM 919 CB GLN A 62 -6.603 5.594 2.112 1.00 0.00 C ATOM 920 CG GLN A 62 -7.566 4.788 2.993 1.00 0.00 C ATOM 921 CD GLN A 62 -7.038 4.717 4.422 1.00 0.00 C ATOM 922 OE1 GLN A 62 -6.382 3.743 4.795 1.00 0.00 O ATOM 923 NE2 GLN A 62 -7.287 5.694 5.251 1.00 0.00 N ATOM 0 H GLN A 62 -7.705 5.011 -0.038 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.152 7.079 1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.051 4.924 1.453 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.869 6.106 2.734 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.552 5.252 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.683 3.782 2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.830 6.500 4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.938 5.652 6.209 1.00 0.00 H new ATOM 932 N PHE A 63 -5.714 7.374 -0.295 1.00 0.00 N ATOM 933 CA PHE A 63 -4.777 8.324 -0.886 1.00 0.00 C ATOM 934 C PHE A 63 -5.488 9.220 -1.893 1.00 0.00 C ATOM 935 O PHE A 63 -4.996 10.295 -2.237 1.00 0.00 O ATOM 936 CB PHE A 63 -3.634 7.573 -1.578 1.00 0.00 C ATOM 937 CG PHE A 63 -2.367 7.755 -0.780 1.00 0.00 C ATOM 938 CD1 PHE A 63 -1.554 8.871 -1.008 1.00 0.00 C ATOM 939 CD2 PHE A 63 -2.013 6.815 0.196 1.00 0.00 C ATOM 940 CE1 PHE A 63 -0.383 9.047 -0.262 1.00 0.00 C ATOM 941 CE2 PHE A 63 -0.843 6.992 0.944 1.00 0.00 C ATOM 942 CZ PHE A 63 -0.029 8.108 0.715 1.00 0.00 C ATOM 0 H PHE A 63 -5.750 6.468 -0.761 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.369 8.946 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.877 6.514 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.497 7.949 -2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.830 9.596 -1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.642 5.955 0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.247 9.906 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.568 6.268 1.697 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.873 8.245 1.293 1.00 0.00 H new ATOM 952 N ARG A 64 -6.656 8.770 -2.349 1.00 0.00 N ATOM 953 CA ARG A 64 -7.453 9.526 -3.307 1.00 0.00 C ATOM 954 C ARG A 64 -6.696 9.759 -4.617 1.00 0.00 C ATOM 955 O ARG A 64 -7.162 10.498 -5.485 1.00 0.00 O ATOM 956 CB ARG A 64 -7.856 10.866 -2.695 1.00 0.00 C ATOM 957 CG ARG A 64 -9.276 10.764 -2.129 1.00 0.00 C ATOM 958 CD ARG A 64 -9.654 12.074 -1.435 1.00 0.00 C ATOM 959 NE ARG A 64 -10.099 13.054 -2.419 1.00 0.00 N ATOM 960 CZ ARG A 64 -10.195 14.342 -2.110 1.00 0.00 C ATOM 961 NH1 ARG A 64 -11.206 14.772 -1.408 1.00 0.00 N ATOM 962 NH2 ARG A 64 -9.277 15.178 -2.508 1.00 0.00 N ATOM 0 H ARG A 64 -7.071 7.882 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.343 8.941 -3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.157 11.142 -1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.810 11.651 -3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.982 10.550 -2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.337 9.937 -1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.445 11.894 -0.707 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.797 12.463 -0.885 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.341 12.745 -3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.924 14.119 -1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.278 15.762 -1.171 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.485 14.843 -3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.351 16.167 -2.271 1.00 0.00 H new ATOM 976 N VAL A 65 -5.536 9.121 -4.760 1.00 0.00 N ATOM 977 CA VAL A 65 -4.739 9.271 -5.979 1.00 0.00 C ATOM 978 C VAL A 65 -5.464 8.634 -7.165 1.00 0.00 C ATOM 979 O VAL A 65 -6.538 8.053 -7.007 1.00 0.00 O ATOM 980 CB VAL A 65 -3.358 8.616 -5.806 1.00 0.00 C ATOM 981 CG1 VAL A 65 -2.580 9.311 -4.685 1.00 0.00 C ATOM 982 CG2 VAL A 65 -3.525 7.130 -5.466 1.00 0.00 C ATOM 0 H VAL A 65 -5.130 8.503 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.603 10.336 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.805 8.715 -6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.604 8.838 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.447 10.364 -4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.135 9.226 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.543 6.672 -5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.089 7.030 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.061 6.630 -6.273 1.00 0.00 H new ATOM 992 N ALA A 66 -4.873 8.755 -8.350 1.00 0.00 N ATOM 993 CA ALA A 66 -5.473 8.194 -9.559 1.00 0.00 C ATOM 994 C ALA A 66 -5.008 6.758 -9.783 1.00 0.00 C ATOM 995 O ALA A 66 -4.023 6.315 -9.189 1.00 0.00 O ATOM 996 CB ALA A 66 -5.091 9.050 -10.769 1.00 0.00 C ATOM 0 H ALA A 66 -3.985 9.233 -8.500 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.556 8.192 -9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.540 8.629 -11.669 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.454 10.067 -10.624 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.006 9.064 -10.877 1.00 0.00 H new ATOM 1002 N LYS A 67 -5.714 6.043 -10.658 1.00 0.00 N ATOM 1003 CA LYS A 67 -5.357 4.662 -10.970 1.00 0.00 C ATOM 1004 C LYS A 67 -4.065 4.643 -11.778 1.00 0.00 C ATOM 1005 O LYS A 67 -3.359 3.636 -11.831 1.00 0.00 O ATOM 1006 CB LYS A 67 -6.481 3.987 -11.767 1.00 0.00 C ATOM 1007 CG LYS A 67 -6.772 4.784 -13.047 1.00 0.00 C ATOM 1008 CD LYS A 67 -6.483 3.914 -14.276 1.00 0.00 C ATOM 1009 CE LYS A 67 -7.638 2.931 -14.497 1.00 0.00 C ATOM 1010 NZ LYS A 67 -8.818 3.660 -15.040 1.00 0.00 N ATOM 0 H LYS A 67 -6.530 6.394 -11.159 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.213 4.113 -10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.195 2.967 -12.022 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.382 3.922 -11.157 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.813 5.108 -13.056 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.157 5.684 -13.074 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.355 4.543 -15.157 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.550 3.368 -14.136 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.333 2.146 -15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.899 2.444 -13.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.453 2.987 -15.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.326 4.126 -14.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.499 4.376 -15.723 1.00 0.00 H new ATOM 1024 N SER A 68 -3.773 5.778 -12.400 1.00 0.00 N ATOM 1025 CA SER A 68 -2.572 5.928 -13.207 1.00 0.00 C ATOM 1026 C SER A 68 -1.391 6.348 -12.334 1.00 0.00 C ATOM 1027 O SER A 68 -0.240 6.315 -12.772 1.00 0.00 O ATOM 1028 CB SER A 68 -2.819 6.986 -14.284 1.00 0.00 C ATOM 1029 OG SER A 68 -2.887 6.355 -15.556 1.00 0.00 O ATOM 0 H SER A 68 -4.357 6.613 -12.359 1.00 0.00 H new ATOM 0 HA SER A 68 -2.335 4.972 -13.674 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.747 7.519 -14.080 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.018 7.725 -14.274 1.00 0.00 H new ATOM 0 HG SER A 68 -3.047 7.030 -16.248 1.00 0.00 H new ATOM 1035 N GLN A 69 -1.690 6.753 -11.098 1.00 0.00 N ATOM 1036 CA GLN A 69 -0.651 7.193 -10.169 1.00 0.00 C ATOM 1037 C GLN A 69 -0.313 6.107 -9.154 1.00 0.00 C ATOM 1038 O GLN A 69 0.562 6.299 -8.314 1.00 0.00 O ATOM 1039 CB GLN A 69 -1.116 8.449 -9.430 1.00 0.00 C ATOM 1040 CG GLN A 69 -1.296 9.597 -10.428 1.00 0.00 C ATOM 1041 CD GLN A 69 -1.943 10.798 -9.744 1.00 0.00 C ATOM 1042 OE1 GLN A 69 -2.043 10.842 -8.517 1.00 0.00 O ATOM 1043 NE2 GLN A 69 -2.391 11.783 -10.472 1.00 0.00 N ATOM 0 H GLN A 69 -2.637 6.785 -10.720 1.00 0.00 H new ATOM 0 HA GLN A 69 0.246 7.410 -10.749 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.056 8.252 -8.914 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.386 8.726 -8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.329 9.883 -10.842 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.915 9.268 -11.263 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.308 11.745 -11.488 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.825 12.591 -10.025 1.00 0.00 H new ATOM 1052 N VAL A 70 -1.000 4.971 -9.239 1.00 0.00 N ATOM 1053 CA VAL A 70 -0.749 3.862 -8.323 1.00 0.00 C ATOM 1054 C VAL A 70 -0.106 2.698 -9.075 1.00 0.00 C ATOM 1055 O VAL A 70 -0.782 1.945 -9.776 1.00 0.00 O ATOM 1056 CB VAL A 70 -2.059 3.417 -7.652 1.00 0.00 C ATOM 1057 CG1 VAL A 70 -3.099 3.039 -8.711 1.00 0.00 C ATOM 1058 CG2 VAL A 70 -1.788 2.210 -6.748 1.00 0.00 C ATOM 0 H VAL A 70 -1.731 4.794 -9.928 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.062 4.194 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.447 4.243 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.021 2.726 -8.220 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.301 3.901 -9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.717 2.220 -9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.717 1.895 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.390 1.390 -7.346 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.064 2.485 -5.981 1.00 0.00 H new ATOM 1068 N VAL A 71 1.212 2.572 -8.938 1.00 0.00 N ATOM 1069 CA VAL A 71 1.949 1.507 -9.626 1.00 0.00 C ATOM 1070 C VAL A 71 2.552 0.503 -8.637 1.00 0.00 C ATOM 1071 O VAL A 71 3.418 0.847 -7.834 1.00 0.00 O ATOM 1072 CB VAL A 71 3.065 2.120 -10.479 1.00 0.00 C ATOM 1073 CG1 VAL A 71 3.954 1.009 -11.051 1.00 0.00 C ATOM 1074 CG2 VAL A 71 2.447 2.917 -11.633 1.00 0.00 C ATOM 0 H VAL A 71 1.790 3.186 -8.364 1.00 0.00 H new ATOM 0 HA VAL A 71 1.244 0.970 -10.261 1.00 0.00 H new ATOM 0 HB VAL A 71 3.668 2.781 -9.856 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.745 1.451 -11.656 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.397 0.441 -10.233 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.352 0.344 -11.670 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.240 3.353 -12.240 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.841 2.253 -12.250 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.819 3.712 -11.231 1.00 0.00 H new ATOM 1084 N ILE A 72 2.093 -0.747 -8.729 1.00 0.00 N ATOM 1085 CA ILE A 72 2.585 -1.828 -7.870 1.00 0.00 C ATOM 1086 C ILE A 72 3.780 -2.519 -8.523 1.00 0.00 C ATOM 1087 O ILE A 72 3.623 -3.501 -9.251 1.00 0.00 O ATOM 1088 CB ILE A 72 1.466 -2.850 -7.629 1.00 0.00 C ATOM 1089 CG1 ILE A 72 0.258 -2.143 -7.003 1.00 0.00 C ATOM 1090 CG2 ILE A 72 1.960 -3.949 -6.682 1.00 0.00 C ATOM 1091 CD1 ILE A 72 -0.931 -3.105 -6.947 1.00 0.00 C ATOM 0 H ILE A 72 1.376 -1.037 -9.394 1.00 0.00 H new ATOM 0 HA ILE A 72 2.899 -1.404 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 72 1.178 -3.298 -8.580 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.506 -1.798 -5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.003 -1.261 -7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.161 -4.671 -6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.818 -4.453 -7.126 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.253 -3.505 -5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.788 -2.599 -6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.185 -3.428 -7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.668 -3.974 -6.343 1.00 0.00 H new ATOM 1103 N GLU A 73 4.972 -1.997 -8.256 1.00 0.00 N ATOM 1104 CA GLU A 73 6.196 -2.566 -8.815 1.00 0.00 C ATOM 1105 C GLU A 73 6.536 -3.893 -8.132 1.00 0.00 C ATOM 1106 O GLU A 73 7.623 -4.439 -8.324 1.00 0.00 O ATOM 1107 CB GLU A 73 7.354 -1.576 -8.631 1.00 0.00 C ATOM 1108 CG GLU A 73 7.461 -0.669 -9.865 1.00 0.00 C ATOM 1109 CD GLU A 73 8.520 -1.206 -10.828 1.00 0.00 C ATOM 1110 OE1 GLU A 73 8.535 -2.405 -11.058 1.00 0.00 O ATOM 1111 OE2 GLU A 73 9.299 -0.408 -11.322 1.00 0.00 O ATOM 0 H GLU A 73 5.118 -1.184 -7.658 1.00 0.00 H new ATOM 0 HA GLU A 73 6.040 -2.754 -9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.191 -0.973 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.288 -2.118 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.496 -0.614 -10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.719 0.345 -9.558 1.00 0.00 H new ATOM 1118 N LYS A 74 5.592 -4.402 -7.335 1.00 0.00 N ATOM 1119 CA LYS A 74 5.769 -5.653 -6.615 1.00 0.00 C ATOM 1120 C LYS A 74 4.654 -5.786 -5.587 1.00 0.00 C ATOM 1121 O LYS A 74 4.197 -4.789 -5.029 1.00 0.00 O ATOM 1122 CB LYS A 74 7.127 -5.692 -5.904 1.00 0.00 C ATOM 1123 CG LYS A 74 8.024 -6.753 -6.553 1.00 0.00 C ATOM 1124 CD LYS A 74 9.494 -6.407 -6.296 1.00 0.00 C ATOM 1125 CE LYS A 74 10.387 -7.548 -6.792 1.00 0.00 C ATOM 1126 NZ LYS A 74 9.888 -8.041 -8.109 1.00 0.00 N ATOM 0 H LYS A 74 4.689 -3.955 -7.175 1.00 0.00 H new ATOM 0 HA LYS A 74 5.734 -6.478 -7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.605 -4.714 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.988 -5.918 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.794 -7.737 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.833 -6.800 -7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.754 -5.480 -6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.658 -6.241 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.416 -7.202 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.391 -8.361 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.649 -8.554 -8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.081 -8.680 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.585 -7.233 -8.690 1.00 0.00 H new ATOM 1140 N GLY A 75 4.211 -7.010 -5.355 1.00 0.00 N ATOM 1141 CA GLY A 75 3.136 -7.259 -4.401 1.00 0.00 C ATOM 1142 C GLY A 75 1.993 -7.996 -5.076 1.00 0.00 C ATOM 1143 O GLY A 75 1.135 -8.575 -4.408 1.00 0.00 O ATOM 0 H GLY A 75 4.576 -7.846 -5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.512 -7.847 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.778 -6.314 -3.992 1.00 0.00 H new ATOM 1147 N GLU A 76 1.994 -7.966 -6.406 1.00 0.00 N ATOM 1148 CA GLU A 76 0.956 -8.635 -7.186 1.00 0.00 C ATOM 1149 C GLU A 76 0.579 -9.979 -6.561 1.00 0.00 C ATOM 1150 O GLU A 76 -0.601 -10.312 -6.455 1.00 0.00 O ATOM 1151 CB GLU A 76 1.443 -8.863 -8.619 1.00 0.00 C ATOM 1152 CG GLU A 76 0.234 -9.046 -9.545 1.00 0.00 C ATOM 1153 CD GLU A 76 0.630 -9.785 -10.827 1.00 0.00 C ATOM 1154 OE1 GLU A 76 1.720 -10.333 -10.873 1.00 0.00 O ATOM 1155 OE2 GLU A 76 -0.173 -9.797 -11.746 1.00 0.00 O ATOM 0 H GLU A 76 2.700 -7.487 -6.965 1.00 0.00 H new ATOM 0 HA GLU A 76 0.075 -7.993 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.043 -8.016 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.084 -9.744 -8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.545 -9.604 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.186 -8.072 -9.797 1.00 0.00 H new ATOM 1162 N LEU A 77 1.592 -10.747 -6.153 1.00 0.00 N ATOM 1163 CA LEU A 77 1.353 -12.056 -5.546 1.00 0.00 C ATOM 1164 C LEU A 77 2.202 -12.245 -4.285 1.00 0.00 C ATOM 1165 O LEU A 77 1.717 -12.748 -3.271 1.00 0.00 O ATOM 1166 CB LEU A 77 1.680 -13.159 -6.561 1.00 0.00 C ATOM 1167 CG LEU A 77 0.671 -14.313 -6.444 1.00 0.00 C ATOM 1168 CD1 LEU A 77 0.649 -14.846 -5.007 1.00 0.00 C ATOM 1169 CD2 LEU A 77 -0.729 -13.819 -6.829 1.00 0.00 C ATOM 0 H LEU A 77 2.575 -10.488 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 77 0.303 -12.115 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.659 -12.750 -7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.690 -13.532 -6.389 1.00 0.00 H new ATOM 0 HG LEU A 77 0.971 -15.115 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.068 -15.663 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.641 -15.209 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.359 -14.046 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.441 -14.640 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.026 -13.011 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.716 -13.454 -7.856 1.00 0.00 H new ATOM 1181 N GLY A 78 3.472 -11.849 -4.359 1.00 0.00 N ATOM 1182 CA GLY A 78 4.382 -11.992 -3.221 1.00 0.00 C ATOM 1183 C GLY A 78 3.978 -11.088 -2.059 1.00 0.00 C ATOM 1184 O GLY A 78 3.390 -10.024 -2.263 1.00 0.00 O ATOM 0 H GLY A 78 3.893 -11.430 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.389 -13.030 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.398 -11.750 -3.534 1.00 0.00 H new ATOM 1188 N ARG A 79 4.309 -11.518 -0.837 1.00 0.00 N ATOM 1189 CA ARG A 79 3.986 -10.734 0.355 1.00 0.00 C ATOM 1190 C ARG A 79 4.677 -9.379 0.281 1.00 0.00 C ATOM 1191 O ARG A 79 4.137 -8.371 0.738 1.00 0.00 O ATOM 1192 CB ARG A 79 4.434 -11.473 1.618 1.00 0.00 C ATOM 1193 CG ARG A 79 3.827 -12.880 1.639 1.00 0.00 C ATOM 1194 CD ARG A 79 4.363 -13.651 2.847 1.00 0.00 C ATOM 1195 NE ARG A 79 3.845 -15.014 2.852 1.00 0.00 N ATOM 1196 CZ ARG A 79 4.044 -15.823 3.890 1.00 0.00 C ATOM 1197 NH1 ARG A 79 5.245 -16.258 4.159 1.00 0.00 N ATOM 1198 NH2 ARG A 79 3.038 -16.181 4.640 1.00 0.00 N ATOM 0 H ARG A 79 4.795 -12.395 -0.650 1.00 0.00 H new ATOM 0 HA ARG A 79 2.906 -10.590 0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.522 -11.536 1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.123 -10.919 2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.740 -12.818 1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.075 -13.408 0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.453 -13.670 2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.075 -13.143 3.767 1.00 0.00 H new ATOM 0 HE ARG A 79 3.321 -15.354 2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.032 -15.978 3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.397 -16.878 4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.099 -15.841 4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.190 -16.801 5.436 1.00 0.00 H new ATOM 1212 N HIS A 80 5.859 -9.358 -0.336 1.00 0.00 N ATOM 1213 CA HIS A 80 6.592 -8.109 -0.505 1.00 0.00 C ATOM 1214 C HIS A 80 5.817 -7.259 -1.495 1.00 0.00 C ATOM 1215 O HIS A 80 5.415 -7.753 -2.548 1.00 0.00 O ATOM 1216 CB HIS A 80 8.008 -8.377 -1.032 1.00 0.00 C ATOM 1217 CG HIS A 80 7.983 -9.526 -2.005 1.00 0.00 C ATOM 1218 ND1 HIS A 80 8.239 -10.831 -1.611 1.00 0.00 N ATOM 1219 CD2 HIS A 80 7.733 -9.585 -3.353 1.00 0.00 C ATOM 1220 CE1 HIS A 80 8.137 -11.611 -2.702 1.00 0.00 C ATOM 1221 NE2 HIS A 80 7.830 -10.902 -3.791 1.00 0.00 N ATOM 0 H HIS A 80 6.322 -10.181 -0.721 1.00 0.00 H new ATOM 0 HA HIS A 80 6.691 -7.597 0.452 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.399 -7.484 -1.520 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.677 -8.606 -0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.497 -8.737 -3.979 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.285 -12.681 -2.698 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.696 -11.251 -4.740 1.00 0.00 H new ATOM 1229 N LYS A 81 5.559 -6.005 -1.148 1.00 0.00 N ATOM 1230 CA LYS A 81 4.773 -5.154 -2.020 1.00 0.00 C ATOM 1231 C LYS A 81 5.377 -3.764 -2.091 1.00 0.00 C ATOM 1232 O LYS A 81 5.861 -3.248 -1.092 1.00 0.00 O ATOM 1233 CB LYS A 81 3.347 -5.120 -1.460 1.00 0.00 C ATOM 1234 CG LYS A 81 2.530 -3.973 -2.052 1.00 0.00 C ATOM 1235 CD LYS A 81 1.081 -4.113 -1.566 1.00 0.00 C ATOM 1236 CE LYS A 81 0.265 -4.898 -2.599 1.00 0.00 C ATOM 1237 NZ LYS A 81 0.578 -6.350 -2.485 1.00 0.00 N ATOM 0 H LYS A 81 5.877 -5.564 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 81 4.762 -5.543 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.851 -6.067 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.385 -5.017 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.943 -3.013 -1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.570 -4.001 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.057 -4.625 -0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.641 -3.127 -1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.800 -4.732 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.495 -4.544 -3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.042 -6.675 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.213 -6.506 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.302 -6.885 -2.342 1.00 0.00 H new ATOM 1251 N GLN A 82 5.346 -3.171 -3.282 1.00 0.00 N ATOM 1252 CA GLN A 82 5.895 -1.841 -3.484 1.00 0.00 C ATOM 1253 C GLN A 82 4.962 -1.070 -4.398 1.00 0.00 C ATOM 1254 O GLN A 82 4.780 -1.433 -5.560 1.00 0.00 O ATOM 1255 CB GLN A 82 7.300 -1.904 -4.114 1.00 0.00 C ATOM 1256 CG GLN A 82 7.987 -3.246 -3.810 1.00 0.00 C ATOM 1257 CD GLN A 82 8.846 -3.128 -2.554 1.00 0.00 C ATOM 1258 OE1 GLN A 82 8.360 -3.334 -1.444 1.00 0.00 O ATOM 1259 NE2 GLN A 82 10.107 -2.812 -2.666 1.00 0.00 N ATOM 0 H GLN A 82 4.946 -3.594 -4.119 1.00 0.00 H new ATOM 0 HA GLN A 82 5.985 -1.345 -2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.224 -1.768 -5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.910 -1.086 -3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.236 -4.024 -3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.606 -3.545 -4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.510 -2.641 -3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.690 -2.736 -1.832 1.00 0.00 H new ATOM 1268 N ILE A 83 4.354 -0.022 -3.861 1.00 0.00 N ATOM 1269 CA ILE A 83 3.417 0.776 -4.633 1.00 0.00 C ATOM 1270 C ILE A 83 3.931 2.197 -4.784 1.00 0.00 C ATOM 1271 O ILE A 83 4.413 2.799 -3.828 1.00 0.00 O ATOM 1272 CB ILE A 83 2.050 0.785 -3.941 1.00 0.00 C ATOM 1273 CG1 ILE A 83 1.776 -0.601 -3.336 1.00 0.00 C ATOM 1274 CG2 ILE A 83 0.965 1.123 -4.965 1.00 0.00 C ATOM 1275 CD1 ILE A 83 0.444 -0.589 -2.584 1.00 0.00 C ATOM 0 H ILE A 83 4.492 0.293 -2.901 1.00 0.00 H new ATOM 0 HA ILE A 83 3.315 0.336 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 83 2.045 1.533 -3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.751 -1.353 -4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.584 -0.877 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.009 1.130 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.163 2.106 -5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.967 0.375 -5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.258 -1.575 -2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.485 0.150 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.361 -0.333 -3.273 1.00 0.00 H new ATOM 1287 N LYS A 84 3.821 2.724 -5.996 1.00 0.00 N ATOM 1288 CA LYS A 84 4.278 4.075 -6.278 1.00 0.00 C ATOM 1289 C LYS A 84 3.084 5.011 -6.396 1.00 0.00 C ATOM 1290 O LYS A 84 2.348 4.969 -7.380 1.00 0.00 O ATOM 1291 CB LYS A 84 5.088 4.093 -7.580 1.00 0.00 C ATOM 1292 CG LYS A 84 6.295 5.027 -7.430 1.00 0.00 C ATOM 1293 CD LYS A 84 5.926 6.432 -7.918 1.00 0.00 C ATOM 1294 CE LYS A 84 5.187 7.195 -6.813 1.00 0.00 C ATOM 1295 NZ LYS A 84 5.873 8.493 -6.563 1.00 0.00 N ATOM 0 H LYS A 84 3.420 2.237 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 84 4.915 4.413 -5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.425 3.085 -7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.459 4.427 -8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.610 5.065 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.138 4.642 -8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.827 6.974 -8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.298 6.364 -8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.152 7.369 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.164 6.601 -5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.353 8.460 -5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.573 8.666 -7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.172 9.261 -6.561 1.00 0.00 H new ATOM 1309 N ILE A 85 2.899 5.846 -5.377 1.00 0.00 N ATOM 1310 CA ILE A 85 1.788 6.791 -5.353 1.00 0.00 C ATOM 1311 C ILE A 85 2.242 8.149 -5.893 1.00 0.00 C ATOM 1312 O ILE A 85 2.751 8.990 -5.149 1.00 0.00 O ATOM 1313 CB ILE A 85 1.263 6.926 -3.911 1.00 0.00 C ATOM 1314 CG1 ILE A 85 0.290 5.777 -3.605 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.528 8.260 -3.734 1.00 0.00 C ATOM 1316 CD1 ILE A 85 0.948 4.431 -3.929 1.00 0.00 C ATOM 0 H ILE A 85 3.505 5.887 -4.557 1.00 0.00 H new ATOM 0 HA ILE A 85 0.983 6.424 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 85 2.111 6.888 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.000 5.806 -2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.621 5.896 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.163 8.341 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.212 9.083 -3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.314 8.306 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.251 3.623 -3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.216 4.402 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.846 4.310 -3.324 1.00 0.00 H new ATOM 1328 N ILE A 86 2.065 8.345 -7.199 1.00 0.00 N ATOM 1329 CA ILE A 86 2.465 9.594 -7.844 1.00 0.00 C ATOM 1330 C ILE A 86 1.451 10.698 -7.559 1.00 0.00 C ATOM 1331 O ILE A 86 0.283 10.421 -7.284 1.00 0.00 O ATOM 1332 CB ILE A 86 2.584 9.386 -9.359 1.00 0.00 C ATOM 1333 CG1 ILE A 86 3.508 8.192 -9.642 1.00 0.00 C ATOM 1334 CG2 ILE A 86 3.162 10.648 -10.009 1.00 0.00 C ATOM 1335 CD1 ILE A 86 3.516 7.888 -11.143 1.00 0.00 C ATOM 0 H ILE A 86 1.649 7.658 -7.828 1.00 0.00 H new ATOM 0 HA ILE A 86 3.432 9.894 -7.440 1.00 0.00 H new ATOM 0 HB ILE A 86 1.596 9.187 -9.775 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.519 8.414 -9.301 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.169 7.318 -9.086 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.245 10.497 -11.085 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.503 11.494 -9.811 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.149 10.852 -9.594 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.173 7.040 -11.339 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.505 7.647 -11.471 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.876 8.760 -11.689 1.00 0.00 H new ATOM 1347 N ASN A 87 1.910 11.950 -7.632 1.00 0.00 N ATOM 1348 CA ASN A 87 1.046 13.106 -7.387 1.00 0.00 C ATOM 1349 C ASN A 87 0.068 12.827 -6.246 1.00 0.00 C ATOM 1350 O ASN A 87 -1.127 12.625 -6.471 1.00 0.00 O ATOM 1351 CB ASN A 87 0.270 13.459 -8.661 1.00 0.00 C ATOM 1352 CG ASN A 87 1.117 14.358 -9.559 1.00 0.00 C ATOM 1353 OD1 ASN A 87 2.393 14.120 -9.690 1.00 0.00 O flip ATOM 1354 ND2 ASN A 87 0.601 15.303 -10.156 1.00 0.00 N flip ATOM 0 H ASN A 87 2.875 12.188 -7.859 1.00 0.00 H new ATOM 0 HA ASN A 87 1.677 13.948 -7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.000 12.548 -9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.660 13.964 -8.401 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.397 15.488 -10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.171 15.901 -10.754 1.00 0.00 H new ATOM 1361 N PRO A 88 0.554 12.810 -5.031 1.00 0.00 N ATOM 1362 CA PRO A 88 -0.287 12.547 -3.834 1.00 0.00 C ATOM 1363 C PRO A 88 -1.165 13.744 -3.483 1.00 0.00 C ATOM 1364 O PRO A 88 -0.696 14.882 -3.441 1.00 0.00 O ATOM 1365 CB PRO A 88 0.719 12.254 -2.710 1.00 0.00 C ATOM 1366 CG PRO A 88 2.091 12.352 -3.310 1.00 0.00 C ATOM 1367 CD PRO A 88 1.952 13.040 -4.666 1.00 0.00 C ATOM 0 HA PRO A 88 -0.978 11.721 -4.001 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.604 12.967 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.551 11.261 -2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.755 12.920 -2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 88 2.530 11.361 -3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.179 14.104 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.633 12.614 -5.403 1.00 0.00 H new ATOM 1375 N GLN A 89 -2.443 13.472 -3.233 1.00 0.00 N ATOM 1376 CA GLN A 89 -3.394 14.523 -2.883 1.00 0.00 C ATOM 1377 C GLN A 89 -3.812 14.386 -1.424 1.00 0.00 C ATOM 1378 O GLN A 89 -4.229 15.358 -0.792 1.00 0.00 O ATOM 1379 CB GLN A 89 -4.633 14.430 -3.781 1.00 0.00 C ATOM 1380 CG GLN A 89 -4.215 14.511 -5.254 1.00 0.00 C ATOM 1381 CD GLN A 89 -3.795 15.936 -5.603 1.00 0.00 C ATOM 1382 OE1 GLN A 89 -2.608 16.263 -5.559 1.00 0.00 O ATOM 1383 NE2 GLN A 89 -4.701 16.809 -5.949 1.00 0.00 N ATOM 0 H GLN A 89 -2.843 12.534 -3.266 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.915 15.491 -3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.159 13.494 -3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.326 15.238 -3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -3.391 13.824 -5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.042 14.201 -5.892 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.683 16.537 -5.985 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.427 17.763 -6.183 1.00 0.00 H new ATOM 1392 N GLN A 90 -3.694 13.169 -0.898 1.00 0.00 N ATOM 1393 CA GLN A 90 -4.054 12.900 0.486 1.00 0.00 C ATOM 1394 C GLN A 90 -3.158 11.809 1.062 1.00 0.00 C ATOM 1395 O GLN A 90 -3.129 10.686 0.561 1.00 0.00 O ATOM 1396 CB GLN A 90 -5.524 12.467 0.565 1.00 0.00 C ATOM 1397 CG GLN A 90 -5.849 11.979 1.980 1.00 0.00 C ATOM 1398 CD GLN A 90 -7.347 12.103 2.245 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -7.898 13.202 2.191 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -8.040 11.036 2.532 1.00 0.00 N ATOM 0 H GLN A 90 -3.352 12.356 -1.411 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.916 13.810 1.070 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.173 13.302 0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.717 11.673 -0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.536 10.942 2.096 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.292 12.564 2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.581 10.126 2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.041 11.111 2.712 1.00 0.00 H new ATOM 1409 N ILE A 91 -2.433 12.151 2.121 1.00 0.00 N ATOM 1410 CA ILE A 91 -1.537 11.201 2.775 1.00 0.00 C ATOM 1411 C ILE A 91 -2.042 10.894 4.188 1.00 0.00 C ATOM 1412 O ILE A 91 -2.164 11.795 5.018 1.00 0.00 O ATOM 1413 CB ILE A 91 -0.113 11.776 2.831 1.00 0.00 C ATOM 1414 CG1 ILE A 91 0.825 10.766 3.508 1.00 0.00 C ATOM 1415 CG2 ILE A 91 -0.109 13.089 3.623 1.00 0.00 C ATOM 1416 CD1 ILE A 91 2.225 10.876 2.898 1.00 0.00 C ATOM 0 H ILE A 91 -2.447 13.078 2.546 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.518 10.275 2.201 1.00 0.00 H new ATOM 0 HB ILE A 91 0.232 11.970 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.869 10.957 4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.440 9.754 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.904 13.490 3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.768 13.809 3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.461 12.903 4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.889 10.158 3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.174 10.663 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.610 11.885 3.049 1.00 0.00 H new ATOM 1428 N PRO A 92 -2.350 9.648 4.470 1.00 0.00 N ATOM 1429 CA PRO A 92 -2.863 9.240 5.807 1.00 0.00 C ATOM 1430 C PRO A 92 -1.819 9.410 6.912 1.00 0.00 C ATOM 1431 O PRO A 92 -0.619 9.266 6.674 1.00 0.00 O ATOM 1432 CB PRO A 92 -3.260 7.764 5.654 1.00 0.00 C ATOM 1433 CG PRO A 92 -2.980 7.366 4.237 1.00 0.00 C ATOM 1434 CD PRO A 92 -2.239 8.512 3.547 1.00 0.00 C ATOM 0 HA PRO A 92 -3.702 9.868 6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.693 7.141 6.346 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.315 7.624 5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.379 6.457 4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.911 7.148 3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.196 8.253 3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.685 8.744 2.580 1.00 0.00 H new ATOM 1442 N PRO A 93 -2.265 9.720 8.107 1.00 0.00 N ATOM 1443 CA PRO A 93 -1.370 9.923 9.281 1.00 0.00 C ATOM 1444 C PRO A 93 -0.397 8.763 9.473 1.00 0.00 C ATOM 1445 O PRO A 93 0.709 8.949 9.976 1.00 0.00 O ATOM 1446 CB PRO A 93 -2.312 10.029 10.488 1.00 0.00 C ATOM 1447 CG PRO A 93 -3.713 9.873 9.980 1.00 0.00 C ATOM 1448 CD PRO A 93 -3.677 9.911 8.453 1.00 0.00 C ATOM 0 HA PRO A 93 -0.751 10.810 9.148 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.082 9.257 11.223 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.190 10.990 10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.140 8.932 10.326 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.347 10.671 10.365 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.299 9.126 8.023 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.053 10.861 8.072 1.00 0.00 H new ATOM 1456 N GLU A 94 -0.822 7.567 9.075 1.00 0.00 N ATOM 1457 CA GLU A 94 0.014 6.378 9.209 1.00 0.00 C ATOM 1458 C GLU A 94 1.370 6.595 8.546 1.00 0.00 C ATOM 1459 O GLU A 94 2.413 6.484 9.190 1.00 0.00 O ATOM 1460 CB GLU A 94 -0.684 5.184 8.556 1.00 0.00 C ATOM 1461 CG GLU A 94 -0.064 3.877 9.065 1.00 0.00 C ATOM 1462 CD GLU A 94 1.279 3.623 8.380 1.00 0.00 C ATOM 1463 OE1 GLU A 94 1.278 3.401 7.179 1.00 0.00 O ATOM 1464 OE2 GLU A 94 2.287 3.652 9.067 1.00 0.00 O ATOM 0 H GLU A 94 -1.737 7.396 8.658 1.00 0.00 H new ATOM 0 HA GLU A 94 0.170 6.182 10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.750 5.205 8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.589 5.244 7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.075 3.929 10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.742 3.046 8.871 1.00 0.00 H new ATOM 1471 N VAL A 95 1.343 6.910 7.254 1.00 0.00 N ATOM 1472 CA VAL A 95 2.574 7.146 6.510 1.00 0.00 C ATOM 1473 C VAL A 95 3.146 8.508 6.881 1.00 0.00 C ATOM 1474 O VAL A 95 4.339 8.766 6.708 1.00 0.00 O ATOM 1475 CB VAL A 95 2.299 7.096 5.001 1.00 0.00 C ATOM 1476 CG1 VAL A 95 3.564 6.658 4.259 1.00 0.00 C ATOM 1477 CG2 VAL A 95 1.172 6.098 4.713 1.00 0.00 C ATOM 0 H VAL A 95 0.489 7.007 6.705 1.00 0.00 H new ATOM 0 HA VAL A 95 3.294 6.369 6.765 1.00 0.00 H new ATOM 0 HB VAL A 95 2.003 8.088 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.364 6.624 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.366 7.369 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.864 5.668 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.980 6.066 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.466 5.107 5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.267 6.411 5.234 1.00 0.00 H new ATOM 1487 N ALA A 96 2.277 9.373 7.396 1.00 0.00 N ATOM 1488 CA ALA A 96 2.688 10.715 7.798 1.00 0.00 C ATOM 1489 C ALA A 96 3.460 10.680 9.114 1.00 0.00 C ATOM 1490 O ALA A 96 4.375 11.467 9.322 1.00 0.00 O ATOM 1491 CB ALA A 96 1.460 11.616 7.949 1.00 0.00 C ATOM 0 H ALA A 96 1.288 9.170 7.544 1.00 0.00 H new ATOM 0 HA ALA A 96 3.342 11.115 7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.776 12.615 8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.932 11.673 6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.796 11.202 8.708 1.00 0.00 H new ATOM 1497 N ALA A 97 3.081 9.769 10.004 1.00 0.00 N ATOM 1498 CA ALA A 97 3.745 9.655 11.300 1.00 0.00 C ATOM 1499 C ALA A 97 5.241 9.401 11.130 1.00 0.00 C ATOM 1500 O ALA A 97 6.026 9.628 12.050 1.00 0.00 O ATOM 1501 CB ALA A 97 3.129 8.510 12.105 1.00 0.00 C ATOM 0 H ALA A 97 2.323 9.103 9.855 1.00 0.00 H new ATOM 0 HA ALA A 97 3.607 10.597 11.831 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.630 8.433 13.070 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.068 8.705 12.262 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.249 7.575 11.558 1.00 0.00 H new ATOM 1507 N LEU A 98 5.625 8.921 9.951 1.00 0.00 N ATOM 1508 CA LEU A 98 7.026 8.627 9.672 1.00 0.00 C ATOM 1509 C LEU A 98 7.653 9.715 8.801 1.00 0.00 C ATOM 1510 O LEU A 98 8.867 9.914 8.824 1.00 0.00 O ATOM 1511 CB LEU A 98 7.142 7.274 8.963 1.00 0.00 C ATOM 1512 CG LEU A 98 6.386 6.199 9.758 1.00 0.00 C ATOM 1513 CD1 LEU A 98 6.264 4.929 8.913 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.148 5.881 11.050 1.00 0.00 C ATOM 0 H LEU A 98 4.989 8.728 9.177 1.00 0.00 H new ATOM 0 HA LEU A 98 7.561 8.593 10.621 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.735 7.346 7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.191 6.995 8.864 1.00 0.00 H new ATOM 0 HG LEU A 98 5.391 6.568 10.007 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.727 4.166 9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.718 5.153 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.259 4.562 8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.609 5.118 11.612 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.145 5.514 10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.233 6.784 11.654 1.00 0.00 H new ATOM 1526 N ILE A 99 6.818 10.413 8.031 1.00 0.00 N ATOM 1527 CA ILE A 99 7.304 11.475 7.151 1.00 0.00 C ATOM 1528 C ILE A 99 7.157 12.843 7.816 1.00 0.00 C ATOM 1529 O ILE A 99 7.912 13.771 7.522 1.00 0.00 O ATOM 1530 CB ILE A 99 6.524 11.457 5.831 1.00 0.00 C ATOM 1531 CG1 ILE A 99 6.811 10.145 5.089 1.00 0.00 C ATOM 1532 CG2 ILE A 99 6.960 12.641 4.960 1.00 0.00 C ATOM 1533 CD1 ILE A 99 5.784 9.947 3.972 1.00 0.00 C ATOM 0 H ILE A 99 5.810 10.264 7.999 1.00 0.00 H new ATOM 0 HA ILE A 99 8.361 11.298 6.952 1.00 0.00 H new ATOM 0 HB ILE A 99 5.457 11.534 6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.817 10.165 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.772 9.307 5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.405 12.627 4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.759 13.574 5.487 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.027 12.565 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.992 9.014 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.783 9.907 4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.845 10.779 3.270 1.00 0.00 H new ATOM 1545 N ASN A 100 6.179 12.959 8.709 1.00 0.00 N ATOM 1546 CA ASN A 100 5.932 14.215 9.411 1.00 0.00 C ATOM 1547 C ASN A 100 6.830 14.332 10.637 1.00 0.00 C ATOM 1548 O ASN A 100 6.928 15.397 11.245 1.00 0.00 O ATOM 1549 CB ASN A 100 4.465 14.289 9.844 1.00 0.00 C ATOM 1550 CG ASN A 100 4.030 15.746 9.964 1.00 0.00 C ATOM 1551 OD1 ASN A 100 3.721 16.215 11.059 1.00 0.00 O ATOM 1552 ND2 ASN A 100 3.989 16.494 8.896 1.00 0.00 N ATOM 0 H ASN A 100 5.546 12.201 8.964 1.00 0.00 H new ATOM 0 HA ASN A 100 6.155 15.038 8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.837 13.772 9.119 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.333 13.782 10.800 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.700 17.470 8.967 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.246 16.103 7.989 1.00 0.00 H new