USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 576 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 Single : A 1 SER N :NH3+ -120:sc= 0.116 (180deg=-0.00601) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.32! C(o=-2.3!,f=-8.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -0.044 (180deg=-0.409) USER MOD Single : A 41 SER OG : rot 180:sc= -0.443 USER MOD Single : A 42 MET CE :methyl 151:sc= -0.598 (180deg=-2.93!) USER MOD Single : A 46 SER OG : rot -115:sc= 0.117 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -123:sc= -0.611 (180deg=-3.57!) USER MOD Single : A 54 SER OG : rot 63:sc= 0.191 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= -0.0538 (180deg=-0.322) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.018 -9.878 -7.682 1.00 0.00 N ATOM 2 CA SER A 1 -10.008 -8.960 -7.083 1.00 0.00 C ATOM 3 C SER A 1 -8.677 -9.113 -7.823 1.00 0.00 C ATOM 4 O SER A 1 -8.549 -9.909 -8.732 1.00 0.00 O ATOM 5 CB SER A 1 -9.814 -9.308 -5.607 1.00 0.00 C ATOM 6 OG SER A 1 -9.342 -10.645 -5.499 1.00 0.00 O ATOM 0 H1 SER A 1 -11.820 -9.323 -8.044 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.584 -10.409 -8.463 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.356 -10.543 -6.957 1.00 0.00 H new ATOM 0 HA SER A 1 -10.356 -7.931 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.102 -8.621 -5.150 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.755 -9.197 -5.068 1.00 0.00 H new ATOM 0 HG SER A 1 -9.215 -10.872 -4.554 1.00 0.00 H new ATOM 14 N GLU A 2 -7.685 -8.355 -7.441 1.00 0.00 N ATOM 15 CA GLU A 2 -6.364 -8.458 -8.123 1.00 0.00 C ATOM 16 C GLU A 2 -5.264 -7.971 -7.178 1.00 0.00 C ATOM 17 O GLU A 2 -5.532 -7.453 -6.113 1.00 0.00 O ATOM 18 CB GLU A 2 -6.373 -7.592 -9.384 1.00 0.00 C ATOM 19 CG GLU A 2 -6.594 -6.128 -8.999 1.00 0.00 C ATOM 20 CD GLU A 2 -6.875 -5.305 -10.257 1.00 0.00 C ATOM 21 OE1 GLU A 2 -7.429 -5.859 -11.192 1.00 0.00 O ATOM 22 OE2 GLU A 2 -6.531 -4.134 -10.264 1.00 0.00 O ATOM 0 H GLU A 2 -7.732 -7.670 -6.687 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.175 -9.496 -8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.429 -7.700 -9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.161 -7.924 -10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.430 -6.046 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.714 -5.739 -8.486 1.00 0.00 H new ATOM 29 N ILE A 3 -4.027 -8.133 -7.561 1.00 0.00 N ATOM 30 CA ILE A 3 -2.911 -7.679 -6.684 1.00 0.00 C ATOM 31 C ILE A 3 -2.127 -6.571 -7.389 1.00 0.00 C ATOM 32 O ILE A 3 -1.802 -6.671 -8.555 1.00 0.00 O ATOM 33 CB ILE A 3 -1.980 -8.857 -6.393 1.00 0.00 C ATOM 34 CG1 ILE A 3 -2.800 -10.040 -5.875 1.00 0.00 C ATOM 35 CG2 ILE A 3 -0.953 -8.448 -5.335 1.00 0.00 C ATOM 36 CD1 ILE A 3 -3.294 -9.738 -4.459 1.00 0.00 C ATOM 0 H ILE A 3 -3.741 -8.560 -8.442 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.317 -7.297 -5.747 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.464 -9.145 -7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.647 -10.226 -6.535 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.192 -10.945 -5.874 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.290 -9.288 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.368 -7.605 -5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.469 -8.159 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.878 -10.581 -4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.439 -9.574 -3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.917 -8.844 -4.474 1.00 0.00 H new ATOM 48 N ILE A 4 -1.819 -5.512 -6.689 1.00 0.00 N ATOM 49 CA ILE A 4 -1.056 -4.398 -7.320 1.00 0.00 C ATOM 50 C ILE A 4 0.426 -4.534 -6.968 1.00 0.00 C ATOM 51 O ILE A 4 0.826 -4.343 -5.837 1.00 0.00 O ATOM 52 CB ILE A 4 -1.584 -3.060 -6.798 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.004 -2.834 -7.325 1.00 0.00 C ATOM 54 CG2 ILE A 4 -0.676 -1.929 -7.282 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.885 -2.291 -6.199 1.00 0.00 C ATOM 0 H ILE A 4 -2.063 -5.371 -5.709 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.178 -4.439 -8.402 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.597 -3.074 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.987 -2.132 -8.158 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.416 -3.769 -7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.052 -0.976 -6.910 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.336 -2.090 -6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.663 -1.914 -8.372 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.896 -2.130 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.912 -3.009 -5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.476 -1.346 -5.840 1.00 0.00 H new ATOM 67 N ARG A 5 1.246 -4.863 -7.929 1.00 0.00 N ATOM 68 CA ARG A 5 2.701 -5.012 -7.648 1.00 0.00 C ATOM 69 C ARG A 5 3.472 -3.874 -8.320 1.00 0.00 C ATOM 70 O ARG A 5 2.933 -3.130 -9.115 1.00 0.00 O ATOM 71 CB ARG A 5 3.192 -6.353 -8.197 1.00 0.00 C ATOM 72 CG ARG A 5 2.676 -6.540 -9.626 1.00 0.00 C ATOM 73 CD ARG A 5 1.409 -7.398 -9.604 1.00 0.00 C ATOM 74 NE ARG A 5 1.774 -8.824 -9.836 1.00 0.00 N ATOM 75 CZ ARG A 5 0.880 -9.661 -10.290 1.00 0.00 C ATOM 76 NH1 ARG A 5 -0.386 -9.339 -10.266 1.00 0.00 N ATOM 77 NH2 ARG A 5 1.250 -10.817 -10.767 1.00 0.00 N ATOM 0 H ARG A 5 0.971 -5.035 -8.896 1.00 0.00 H new ATOM 0 HA ARG A 5 2.867 -4.976 -6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.281 -6.386 -8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.842 -7.168 -7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.464 -5.571 -10.077 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.440 -7.017 -10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.901 -7.292 -8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.714 -7.059 -10.372 1.00 0.00 H new ATOM 0 HE ARG A 5 2.722 -9.146 -9.640 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.675 -8.435 -9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.085 -9.992 -10.620 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.238 -11.068 -10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.551 -11.470 -11.121 1.00 0.00 H new ATOM 91 N VAL A 6 4.731 -3.732 -8.005 1.00 0.00 N ATOM 92 CA VAL A 6 5.539 -2.644 -8.624 1.00 0.00 C ATOM 93 C VAL A 6 5.233 -2.571 -10.125 1.00 0.00 C ATOM 94 O VAL A 6 5.668 -3.416 -10.883 1.00 0.00 O ATOM 95 CB VAL A 6 7.026 -2.943 -8.426 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.858 -1.993 -9.287 1.00 0.00 C ATOM 97 CG2 VAL A 6 7.392 -2.746 -6.953 1.00 0.00 C ATOM 0 H VAL A 6 5.235 -4.324 -7.345 1.00 0.00 H new ATOM 0 HA VAL A 6 5.290 -1.693 -8.154 1.00 0.00 H new ATOM 0 HB VAL A 6 7.231 -3.972 -8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.917 -2.207 -9.145 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.597 -2.130 -10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.653 -0.963 -8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.451 -2.959 -6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.186 -1.716 -6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.800 -3.423 -6.337 1.00 0.00 H new ATOM 107 N PRO A 7 4.494 -1.561 -10.515 1.00 0.00 N ATOM 108 CA PRO A 7 4.117 -1.354 -11.924 1.00 0.00 C ATOM 109 C PRO A 7 5.293 -0.767 -12.711 1.00 0.00 C ATOM 110 O PRO A 7 6.403 -0.691 -12.223 1.00 0.00 O ATOM 111 CB PRO A 7 2.958 -0.357 -11.845 1.00 0.00 C ATOM 112 CG PRO A 7 3.103 0.373 -10.489 1.00 0.00 C ATOM 113 CD PRO A 7 3.967 -0.533 -9.593 1.00 0.00 C ATOM 0 HA PRO A 7 3.842 -2.277 -12.434 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.997 0.351 -12.673 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.999 -0.870 -11.909 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.572 1.348 -10.622 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.127 0.548 -10.037 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.773 0.028 -9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.377 -0.981 -8.793 1.00 0.00 H new ATOM 121 N ASP A 8 5.058 -0.351 -13.926 1.00 0.00 N ATOM 122 CA ASP A 8 6.162 0.228 -14.741 1.00 0.00 C ATOM 123 C ASP A 8 6.465 1.647 -14.256 1.00 0.00 C ATOM 124 O ASP A 8 5.771 2.587 -14.584 1.00 0.00 O ATOM 125 CB ASP A 8 5.740 0.273 -16.212 1.00 0.00 C ATOM 126 CG ASP A 8 6.972 0.497 -17.090 1.00 0.00 C ATOM 127 OD1 ASP A 8 7.392 1.636 -17.208 1.00 0.00 O ATOM 128 OD2 ASP A 8 7.474 -0.475 -17.630 1.00 0.00 O ATOM 0 H ASP A 8 4.150 -0.387 -14.388 1.00 0.00 H new ATOM 0 HA ASP A 8 7.053 -0.390 -14.636 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.248 -0.659 -16.489 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.018 1.074 -16.370 1.00 0.00 H new ATOM 133 N ILE A 9 7.497 1.807 -13.473 1.00 0.00 N ATOM 134 CA ILE A 9 7.845 3.165 -12.965 1.00 0.00 C ATOM 135 C ILE A 9 9.097 3.669 -13.685 1.00 0.00 C ATOM 136 O ILE A 9 9.327 4.857 -13.793 1.00 0.00 O ATOM 137 CB ILE A 9 8.114 3.117 -11.453 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.025 1.676 -10.936 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.077 3.975 -10.727 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.360 1.646 -9.444 1.00 0.00 C ATOM 0 H ILE A 9 8.114 1.056 -13.163 1.00 0.00 H new ATOM 0 HA ILE A 9 7.009 3.838 -13.155 1.00 0.00 H new ATOM 0 HB ILE A 9 9.117 3.499 -11.263 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.023 1.280 -11.102 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.715 1.038 -11.487 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.265 3.943 -9.654 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.147 5.005 -11.077 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.078 3.590 -10.932 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.296 0.621 -9.077 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.371 2.024 -9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.652 2.271 -8.899 1.00 0.00 H new ATOM 152 N GLY A 10 9.910 2.775 -14.177 1.00 0.00 N ATOM 153 CA GLY A 10 11.148 3.204 -14.888 1.00 0.00 C ATOM 154 C GLY A 10 12.367 2.559 -14.226 1.00 0.00 C ATOM 155 O GLY A 10 13.361 2.284 -14.869 1.00 0.00 O ATOM 0 H GLY A 10 9.771 1.766 -14.118 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.096 2.915 -15.938 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.238 4.290 -14.860 1.00 0.00 H new ATOM 159 N GLY A 11 12.300 2.317 -12.946 1.00 0.00 N ATOM 160 CA GLY A 11 13.457 1.691 -12.245 1.00 0.00 C ATOM 161 C GLY A 11 13.066 1.370 -10.801 1.00 0.00 C ATOM 162 O GLY A 11 12.033 1.792 -10.319 1.00 0.00 O ATOM 0 H GLY A 11 11.495 2.525 -12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.760 0.780 -12.762 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.313 2.366 -12.260 1.00 0.00 H new ATOM 166 N ASP A 12 13.885 0.629 -10.106 1.00 0.00 N ATOM 167 CA ASP A 12 13.559 0.283 -8.694 1.00 0.00 C ATOM 168 C ASP A 12 13.141 1.548 -7.942 1.00 0.00 C ATOM 169 O ASP A 12 13.931 2.446 -7.731 1.00 0.00 O ATOM 170 CB ASP A 12 14.792 -0.326 -8.021 1.00 0.00 C ATOM 171 CG ASP A 12 14.492 -0.584 -6.543 1.00 0.00 C ATOM 172 OD1 ASP A 12 13.914 -1.618 -6.248 1.00 0.00 O ATOM 173 OD2 ASP A 12 14.845 0.255 -5.731 1.00 0.00 O ATOM 0 H ASP A 12 14.765 0.249 -10.455 1.00 0.00 H new ATOM 0 HA ASP A 12 12.741 -0.437 -8.676 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.066 -1.258 -8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.643 0.349 -8.118 1.00 0.00 H new ATOM 178 N GLY A 13 11.903 1.626 -7.537 1.00 0.00 N ATOM 179 CA GLY A 13 11.434 2.833 -6.800 1.00 0.00 C ATOM 180 C GLY A 13 11.211 2.481 -5.329 1.00 0.00 C ATOM 181 O GLY A 13 10.871 1.363 -4.994 1.00 0.00 O ATOM 0 H GLY A 13 11.196 0.906 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.170 3.633 -6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.508 3.203 -7.240 1.00 0.00 H new ATOM 185 N GLU A 14 11.400 3.424 -4.447 1.00 0.00 N ATOM 186 CA GLU A 14 11.197 3.142 -2.998 1.00 0.00 C ATOM 187 C GLU A 14 10.028 3.977 -2.473 1.00 0.00 C ATOM 188 O GLU A 14 9.998 5.182 -2.624 1.00 0.00 O ATOM 189 CB GLU A 14 12.468 3.501 -2.226 1.00 0.00 C ATOM 190 CG GLU A 14 12.189 3.440 -0.724 1.00 0.00 C ATOM 191 CD GLU A 14 13.492 3.656 0.048 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.543 3.437 -0.531 1.00 0.00 O ATOM 193 OE2 GLU A 14 13.417 4.037 1.204 1.00 0.00 O ATOM 0 H GLU A 14 11.686 4.378 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 14 10.976 2.083 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.271 2.811 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.804 4.500 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.460 4.202 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.755 2.475 -0.463 1.00 0.00 H new ATOM 200 N VAL A 15 9.065 3.346 -1.858 1.00 0.00 N ATOM 201 CA VAL A 15 7.899 4.106 -1.325 1.00 0.00 C ATOM 202 C VAL A 15 8.393 5.199 -0.375 1.00 0.00 C ATOM 203 O VAL A 15 9.396 5.046 0.294 1.00 0.00 O ATOM 204 CB VAL A 15 6.973 3.153 -0.569 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.718 3.906 -0.123 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.572 1.996 -1.487 1.00 0.00 C ATOM 0 H VAL A 15 9.035 2.338 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 15 7.354 4.563 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 15 7.492 2.761 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.058 3.226 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.002 4.731 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.199 4.298 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.912 1.316 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.053 2.388 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.465 1.458 -1.806 1.00 0.00 H new ATOM 216 N ILE A 16 7.696 6.300 -0.309 1.00 0.00 N ATOM 217 CA ILE A 16 8.126 7.401 0.599 1.00 0.00 C ATOM 218 C ILE A 16 7.016 7.689 1.612 1.00 0.00 C ATOM 219 O ILE A 16 7.249 7.745 2.803 1.00 0.00 O ATOM 220 CB ILE A 16 8.405 8.660 -0.223 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.516 8.372 -1.234 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.847 9.791 0.708 1.00 0.00 C ATOM 223 CD1 ILE A 16 9.848 9.649 -2.008 1.00 0.00 C ATOM 0 H ILE A 16 6.848 6.485 -0.844 1.00 0.00 H new ATOM 0 HA ILE A 16 9.032 7.104 1.127 1.00 0.00 H new ATOM 0 HB ILE A 16 7.499 8.956 -0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.404 8.005 -0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.201 7.589 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.046 10.688 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.057 9.997 1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.753 9.494 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.640 9.443 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.959 9.996 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.182 10.419 -1.313 1.00 0.00 H new ATOM 235 N GLU A 17 5.810 7.872 1.148 1.00 0.00 N ATOM 236 CA GLU A 17 4.687 8.156 2.086 1.00 0.00 C ATOM 237 C GLU A 17 3.358 7.823 1.404 1.00 0.00 C ATOM 238 O GLU A 17 3.188 8.032 0.219 1.00 0.00 O ATOM 239 CB GLU A 17 4.706 9.637 2.471 1.00 0.00 C ATOM 240 CG GLU A 17 4.053 9.816 3.843 1.00 0.00 C ATOM 241 CD GLU A 17 4.060 11.299 4.223 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.988 11.986 3.829 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.138 11.721 4.900 1.00 0.00 O ATOM 0 H GLU A 17 5.554 7.837 0.161 1.00 0.00 H new ATOM 0 HA GLU A 17 4.799 7.546 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.732 10.005 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.173 10.225 1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.030 9.440 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.591 9.235 4.592 1.00 0.00 H new ATOM 250 N LEU A 18 2.414 7.308 2.144 1.00 0.00 N ATOM 251 CA LEU A 18 1.102 6.963 1.545 1.00 0.00 C ATOM 252 C LEU A 18 0.075 8.034 1.920 1.00 0.00 C ATOM 253 O LEU A 18 0.209 8.712 2.919 1.00 0.00 O ATOM 254 CB LEU A 18 0.631 5.601 2.068 1.00 0.00 C ATOM 255 CG LEU A 18 1.341 5.243 3.377 1.00 0.00 C ATOM 256 CD1 LEU A 18 0.605 4.088 4.058 1.00 0.00 C ATOM 257 CD2 LEU A 18 2.780 4.819 3.075 1.00 0.00 C ATOM 0 H LEU A 18 2.499 7.112 3.141 1.00 0.00 H new ATOM 0 HA LEU A 18 1.204 6.915 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.447 5.621 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.828 4.832 1.321 1.00 0.00 H new ATOM 0 HG LEU A 18 1.346 6.111 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.110 3.833 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.421 4.386 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.601 3.220 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.287 4.564 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.773 3.951 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.307 5.640 2.588 1.00 0.00 H new ATOM 269 N LEU A 19 -0.951 8.189 1.128 1.00 0.00 N ATOM 270 CA LEU A 19 -1.985 9.216 1.441 1.00 0.00 C ATOM 271 C LEU A 19 -3.354 8.544 1.548 1.00 0.00 C ATOM 272 O LEU A 19 -4.363 9.103 1.164 1.00 0.00 O ATOM 273 CB LEU A 19 -2.016 10.265 0.328 1.00 0.00 C ATOM 274 CG LEU A 19 -1.718 9.594 -1.014 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.350 10.408 -2.144 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.204 9.525 -1.223 1.00 0.00 C ATOM 0 H LEU A 19 -1.118 7.649 0.279 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.743 9.699 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.993 10.748 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.281 11.045 0.528 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.133 8.586 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.137 9.930 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.429 10.460 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.935 11.416 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.010 9.047 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.210 10.533 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.248 8.945 -0.418 1.00 0.00 H new ATOM 288 N VAL A 20 -3.400 7.347 2.067 1.00 0.00 N ATOM 289 CA VAL A 20 -4.706 6.641 2.198 1.00 0.00 C ATOM 290 C VAL A 20 -4.695 5.780 3.462 1.00 0.00 C ATOM 291 O VAL A 20 -3.727 5.749 4.196 1.00 0.00 O ATOM 292 CB VAL A 20 -4.927 5.748 0.975 1.00 0.00 C ATOM 293 CG1 VAL A 20 -5.498 6.586 -0.171 1.00 0.00 C ATOM 294 CG2 VAL A 20 -3.592 5.138 0.542 1.00 0.00 C ATOM 0 H VAL A 20 -2.590 6.828 2.406 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.511 7.373 2.264 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.627 4.952 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.656 5.951 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.448 7.023 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.797 7.382 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.748 4.502 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.893 5.935 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.183 4.542 1.358 1.00 0.00 H new ATOM 304 N LYS A 21 -5.764 5.078 3.723 1.00 0.00 N ATOM 305 CA LYS A 21 -5.814 4.220 4.940 1.00 0.00 C ATOM 306 C LYS A 21 -6.285 2.816 4.555 1.00 0.00 C ATOM 307 O LYS A 21 -6.621 2.553 3.416 1.00 0.00 O ATOM 308 CB LYS A 21 -6.789 4.825 5.951 1.00 0.00 C ATOM 309 CG LYS A 21 -6.076 5.027 7.290 1.00 0.00 C ATOM 310 CD LYS A 21 -6.249 6.477 7.747 1.00 0.00 C ATOM 311 CE LYS A 21 -4.922 7.001 8.300 1.00 0.00 C ATOM 312 NZ LYS A 21 -5.074 8.434 8.680 1.00 0.00 N ATOM 0 H LYS A 21 -6.605 5.062 3.146 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.820 4.161 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.168 5.778 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.649 4.168 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.485 4.348 8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.017 4.790 7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.577 7.096 6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.023 6.538 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.620 6.414 9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.136 6.893 7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.172 8.791 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.344 8.989 7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.812 8.524 9.407 1.00 0.00 H new ATOM 326 N THR A 22 -6.312 1.910 5.494 1.00 0.00 N ATOM 327 CA THR A 22 -6.761 0.524 5.181 1.00 0.00 C ATOM 328 C THR A 22 -8.288 0.492 5.088 1.00 0.00 C ATOM 329 O THR A 22 -8.976 1.236 5.759 1.00 0.00 O ATOM 330 CB THR A 22 -6.297 -0.424 6.289 1.00 0.00 C ATOM 331 OG1 THR A 22 -4.956 -0.116 6.642 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.377 -1.869 5.793 1.00 0.00 C ATOM 0 H THR A 22 -6.042 2.070 6.465 1.00 0.00 H new ATOM 0 HA THR A 22 -6.332 0.208 4.230 1.00 0.00 H new ATOM 0 HB THR A 22 -6.939 -0.306 7.162 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.658 -0.721 7.353 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.046 -2.544 6.583 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.406 -2.104 5.522 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.735 -1.990 4.920 1.00 0.00 H new ATOM 340 N GLY A 23 -8.823 -0.363 4.260 1.00 0.00 N ATOM 341 CA GLY A 23 -10.305 -0.443 4.125 1.00 0.00 C ATOM 342 C GLY A 23 -10.829 0.833 3.463 1.00 0.00 C ATOM 343 O GLY A 23 -12.021 1.052 3.373 1.00 0.00 O ATOM 0 H GLY A 23 -8.298 -1.010 3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.580 -1.313 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.763 -0.571 5.106 1.00 0.00 H new ATOM 347 N ASP A 24 -9.949 1.678 2.999 1.00 0.00 N ATOM 348 CA ASP A 24 -10.400 2.938 2.343 1.00 0.00 C ATOM 349 C ASP A 24 -10.700 2.667 0.868 1.00 0.00 C ATOM 350 O ASP A 24 -10.023 1.894 0.219 1.00 0.00 O ATOM 351 CB ASP A 24 -9.297 3.993 2.454 1.00 0.00 C ATOM 352 CG ASP A 24 -9.191 4.471 3.904 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.562 3.713 4.785 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.740 5.586 4.108 1.00 0.00 O ATOM 0 H ASP A 24 -8.938 1.550 3.046 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.302 3.301 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.345 3.575 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.517 4.835 1.798 1.00 0.00 H new ATOM 359 N LEU A 25 -11.710 3.297 0.332 1.00 0.00 N ATOM 360 CA LEU A 25 -12.050 3.074 -1.102 1.00 0.00 C ATOM 361 C LEU A 25 -11.543 4.253 -1.935 1.00 0.00 C ATOM 362 O LEU A 25 -11.984 5.374 -1.775 1.00 0.00 O ATOM 363 CB LEU A 25 -13.569 2.960 -1.253 1.00 0.00 C ATOM 364 CG LEU A 25 -13.898 2.195 -2.536 1.00 0.00 C ATOM 365 CD1 LEU A 25 -14.971 1.145 -2.245 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.417 3.172 -3.592 1.00 0.00 C ATOM 0 H LEU A 25 -12.314 3.956 0.824 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.579 2.154 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.993 2.445 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.018 3.953 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.998 1.702 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.205 0.600 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.603 0.448 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.871 1.637 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.652 2.628 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.316 3.664 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.653 3.921 -3.801 1.00 0.00 H new ATOM 378 N ILE A 26 -10.618 4.011 -2.823 1.00 0.00 N ATOM 379 CA ILE A 26 -10.083 5.114 -3.663 1.00 0.00 C ATOM 380 C ILE A 26 -10.874 5.181 -4.971 1.00 0.00 C ATOM 381 O ILE A 26 -11.877 4.514 -5.135 1.00 0.00 O ATOM 382 CB ILE A 26 -8.610 4.839 -3.967 1.00 0.00 C ATOM 383 CG1 ILE A 26 -7.955 4.162 -2.761 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.888 6.155 -4.262 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.634 2.707 -3.104 1.00 0.00 C ATOM 0 H ILE A 26 -10.210 3.093 -3.002 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.176 6.063 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.541 4.185 -4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.043 4.691 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.622 4.205 -1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.839 5.954 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.350 6.638 -5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.961 6.812 -3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.167 2.225 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.554 2.182 -3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.951 2.675 -3.953 1.00 0.00 H new ATOM 397 N GLU A 27 -10.435 5.981 -5.903 1.00 0.00 N ATOM 398 CA GLU A 27 -11.164 6.089 -7.199 1.00 0.00 C ATOM 399 C GLU A 27 -10.153 6.189 -8.344 1.00 0.00 C ATOM 400 O GLU A 27 -8.963 6.303 -8.125 1.00 0.00 O ATOM 401 CB GLU A 27 -12.046 7.340 -7.185 1.00 0.00 C ATOM 402 CG GLU A 27 -13.516 6.927 -7.097 1.00 0.00 C ATOM 403 CD GLU A 27 -14.388 8.001 -7.749 1.00 0.00 C ATOM 404 OE1 GLU A 27 -14.111 8.352 -8.884 1.00 0.00 O ATOM 405 OE2 GLU A 27 -15.319 8.453 -7.103 1.00 0.00 O ATOM 0 H GLU A 27 -9.603 6.565 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.788 5.207 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.784 7.973 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.876 7.928 -8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.666 5.970 -7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.805 6.792 -6.055 1.00 0.00 H new ATOM 412 N VAL A 28 -10.616 6.148 -9.562 1.00 0.00 N ATOM 413 CA VAL A 28 -9.680 6.242 -10.717 1.00 0.00 C ATOM 414 C VAL A 28 -9.280 7.702 -10.933 1.00 0.00 C ATOM 415 O VAL A 28 -9.778 8.366 -11.822 1.00 0.00 O ATOM 416 CB VAL A 28 -10.368 5.709 -11.976 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.639 6.517 -12.244 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.419 5.842 -13.169 1.00 0.00 C ATOM 0 H VAL A 28 -11.601 6.054 -9.808 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.789 5.649 -10.511 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.628 4.660 -11.832 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.129 6.138 -13.141 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.315 6.424 -11.394 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.380 7.566 -12.389 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.908 5.463 -14.067 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.160 6.891 -13.313 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.513 5.267 -12.979 1.00 0.00 H new ATOM 428 N GLU A 29 -8.384 8.207 -10.130 1.00 0.00 N ATOM 429 CA GLU A 29 -7.949 9.622 -10.289 1.00 0.00 C ATOM 430 C GLU A 29 -7.244 10.086 -9.012 1.00 0.00 C ATOM 431 O GLU A 29 -6.231 10.757 -9.060 1.00 0.00 O ATOM 432 CB GLU A 29 -9.169 10.508 -10.547 1.00 0.00 C ATOM 433 CG GLU A 29 -9.143 11.004 -11.994 1.00 0.00 C ATOM 434 CD GLU A 29 -9.014 12.528 -12.009 1.00 0.00 C ATOM 435 OE1 GLU A 29 -9.898 13.183 -11.482 1.00 0.00 O ATOM 436 OE2 GLU A 29 -8.033 13.016 -12.549 1.00 0.00 O ATOM 0 H GLU A 29 -7.934 7.699 -9.369 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.262 9.696 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.085 9.947 -10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.168 11.355 -9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.308 10.552 -12.529 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.054 10.700 -12.510 1.00 0.00 H new ATOM 443 N GLN A 30 -7.769 9.735 -7.871 1.00 0.00 N ATOM 444 CA GLN A 30 -7.128 10.158 -6.594 1.00 0.00 C ATOM 445 C GLN A 30 -5.715 9.575 -6.514 1.00 0.00 C ATOM 446 O GLN A 30 -5.453 8.491 -6.997 1.00 0.00 O ATOM 447 CB GLN A 30 -7.956 9.648 -5.413 1.00 0.00 C ATOM 448 CG GLN A 30 -7.667 10.504 -4.178 1.00 0.00 C ATOM 449 CD GLN A 30 -6.790 9.716 -3.204 1.00 0.00 C ATOM 450 OE1 GLN A 30 -5.587 9.655 -3.365 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.344 9.105 -2.193 1.00 0.00 N ATOM 0 H GLN A 30 -8.614 9.174 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.075 11.246 -6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.018 9.688 -5.656 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.715 8.605 -5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.165 11.426 -4.471 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.601 10.789 -3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.354 9.156 -2.057 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.767 8.577 -1.538 1.00 0.00 H new ATOM 460 N GLY A 31 -4.803 10.286 -5.910 1.00 0.00 N ATOM 461 CA GLY A 31 -3.409 9.773 -5.801 1.00 0.00 C ATOM 462 C GLY A 31 -3.400 8.489 -4.969 1.00 0.00 C ATOM 463 O GLY A 31 -4.434 7.977 -4.588 1.00 0.00 O ATOM 0 H GLY A 31 -4.963 11.200 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.003 9.578 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.769 10.524 -5.337 1.00 0.00 H new ATOM 467 N LEU A 32 -2.241 7.962 -4.684 1.00 0.00 N ATOM 468 CA LEU A 32 -2.169 6.712 -3.877 1.00 0.00 C ATOM 469 C LEU A 32 -0.898 6.726 -3.025 1.00 0.00 C ATOM 470 O LEU A 32 -0.948 6.884 -1.821 1.00 0.00 O ATOM 471 CB LEU A 32 -2.141 5.502 -4.813 1.00 0.00 C ATOM 472 CG LEU A 32 -3.041 4.401 -4.251 1.00 0.00 C ATOM 473 CD1 LEU A 32 -2.883 3.132 -5.091 1.00 0.00 C ATOM 474 CD2 LEU A 32 -2.641 4.105 -2.803 1.00 0.00 C ATOM 0 H LEU A 32 -1.341 8.343 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.041 6.649 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.480 5.791 -5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.120 5.134 -4.918 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.079 4.731 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.525 2.348 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.167 3.341 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.845 2.802 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.282 3.320 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.602 3.776 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.753 5.008 -2.203 1.00 0.00 H new ATOM 486 N VAL A 33 0.242 6.559 -3.638 1.00 0.00 N ATOM 487 CA VAL A 33 1.514 6.563 -2.861 1.00 0.00 C ATOM 488 C VAL A 33 2.526 7.489 -3.539 1.00 0.00 C ATOM 489 O VAL A 33 2.272 8.034 -4.595 1.00 0.00 O ATOM 490 CB VAL A 33 2.079 5.144 -2.805 1.00 0.00 C ATOM 491 CG1 VAL A 33 0.991 4.177 -2.336 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.559 4.732 -4.199 1.00 0.00 C ATOM 0 H VAL A 33 0.348 6.420 -4.643 1.00 0.00 H new ATOM 0 HA VAL A 33 1.320 6.919 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 33 2.916 5.115 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.395 3.166 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.647 4.469 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.153 4.206 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.962 3.720 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.722 4.763 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.335 5.420 -4.534 1.00 0.00 H new ATOM 502 N VAL A 34 3.669 7.672 -2.939 1.00 0.00 N ATOM 503 CA VAL A 34 4.697 8.564 -3.549 1.00 0.00 C ATOM 504 C VAL A 34 6.054 7.857 -3.540 1.00 0.00 C ATOM 505 O VAL A 34 6.741 7.826 -2.538 1.00 0.00 O ATOM 506 CB VAL A 34 4.790 9.860 -2.743 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.927 10.723 -3.295 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.470 10.625 -2.853 1.00 0.00 C ATOM 0 H VAL A 34 3.937 7.243 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 34 4.415 8.796 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 34 4.987 9.624 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.994 11.647 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.868 10.178 -3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.730 10.959 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.536 11.549 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.272 10.861 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.660 10.011 -2.460 1.00 0.00 H new ATOM 518 N LEU A 35 6.446 7.291 -4.648 1.00 0.00 N ATOM 519 CA LEU A 35 7.758 6.588 -4.700 1.00 0.00 C ATOM 520 C LEU A 35 8.827 7.541 -5.242 1.00 0.00 C ATOM 521 O LEU A 35 8.535 8.460 -5.980 1.00 0.00 O ATOM 522 CB LEU A 35 7.649 5.370 -5.621 1.00 0.00 C ATOM 523 CG LEU A 35 6.303 4.678 -5.393 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.473 4.740 -6.676 1.00 0.00 C ATOM 525 CD2 LEU A 35 6.542 3.215 -5.012 1.00 0.00 C ATOM 0 H LEU A 35 5.915 7.285 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 35 8.035 6.263 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.740 5.679 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.465 4.676 -5.422 1.00 0.00 H new ATOM 0 HG LEU A 35 5.767 5.182 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.514 4.247 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.304 5.781 -6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.008 4.236 -7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.584 2.720 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.078 2.712 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.134 3.169 -4.098 1.00 0.00 H new ATOM 537 N GLU A 36 10.063 7.327 -4.880 1.00 0.00 N ATOM 538 CA GLU A 36 11.147 8.222 -5.374 1.00 0.00 C ATOM 539 C GLU A 36 11.992 7.474 -6.408 1.00 0.00 C ATOM 540 O GLU A 36 12.089 6.263 -6.387 1.00 0.00 O ATOM 541 CB GLU A 36 12.034 8.644 -4.201 1.00 0.00 C ATOM 542 CG GLU A 36 12.418 10.117 -4.355 1.00 0.00 C ATOM 543 CD GLU A 36 13.743 10.378 -3.635 1.00 0.00 C ATOM 544 OE1 GLU A 36 14.770 9.993 -4.169 1.00 0.00 O ATOM 545 OE2 GLU A 36 13.708 10.958 -2.563 1.00 0.00 O ATOM 0 H GLU A 36 10.368 6.573 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 36 10.707 9.107 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.507 8.491 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.931 8.025 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.510 10.371 -5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.636 10.753 -3.941 1.00 0.00 H new ATOM 552 N SER A 37 12.605 8.186 -7.314 1.00 0.00 N ATOM 553 CA SER A 37 13.442 7.515 -8.348 1.00 0.00 C ATOM 554 C SER A 37 14.895 7.976 -8.206 1.00 0.00 C ATOM 555 O SER A 37 15.225 8.763 -7.341 1.00 0.00 O ATOM 556 CB SER A 37 12.925 7.882 -9.739 1.00 0.00 C ATOM 557 OG SER A 37 12.140 6.810 -10.246 1.00 0.00 O ATOM 0 H SER A 37 12.562 9.203 -7.383 1.00 0.00 H new ATOM 0 HA SER A 37 13.388 6.435 -8.214 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.329 8.793 -9.689 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.761 8.084 -10.409 1.00 0.00 H new ATOM 0 HG SER A 37 11.805 7.043 -11.137 1.00 0.00 H new ATOM 563 N ALA A 38 15.766 7.491 -9.048 1.00 0.00 N ATOM 564 CA ALA A 38 17.195 7.902 -8.961 1.00 0.00 C ATOM 565 C ALA A 38 17.310 9.407 -9.210 1.00 0.00 C ATOM 566 O ALA A 38 18.261 10.043 -8.799 1.00 0.00 O ATOM 567 CB ALA A 38 18.008 7.148 -10.016 1.00 0.00 C ATOM 0 H ALA A 38 15.549 6.828 -9.792 1.00 0.00 H new ATOM 0 HA ALA A 38 17.580 7.667 -7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.054 7.449 -9.953 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.927 6.075 -9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.623 7.382 -11.008 1.00 0.00 H new ATOM 573 N LYS A 39 16.348 9.983 -9.878 1.00 0.00 N ATOM 574 CA LYS A 39 16.404 11.446 -10.152 1.00 0.00 C ATOM 575 C LYS A 39 14.997 11.959 -10.466 1.00 0.00 C ATOM 576 O LYS A 39 14.714 12.393 -11.565 1.00 0.00 O ATOM 577 CB LYS A 39 17.321 11.707 -11.348 1.00 0.00 C ATOM 578 CG LYS A 39 17.097 10.627 -12.409 1.00 0.00 C ATOM 579 CD LYS A 39 18.092 10.822 -13.555 1.00 0.00 C ATOM 580 CE LYS A 39 17.611 10.052 -14.786 1.00 0.00 C ATOM 581 NZ LYS A 39 16.440 10.754 -15.384 1.00 0.00 N ATOM 0 H LYS A 39 15.526 9.503 -10.246 1.00 0.00 H new ATOM 0 HA LYS A 39 16.794 11.965 -9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.117 12.692 -11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 39 18.363 11.707 -11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.223 9.638 -11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.076 10.680 -12.787 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.188 11.882 -13.791 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.080 10.471 -13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.415 9.975 -15.518 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.336 9.035 -14.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.353 10.491 -16.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.574 10.479 -14.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.575 11.782 -15.306 1.00 0.00 H new ATOM 595 N ALA A 40 14.111 11.915 -9.508 1.00 0.00 N ATOM 596 CA ALA A 40 12.724 12.401 -9.753 1.00 0.00 C ATOM 597 C ALA A 40 11.814 11.942 -8.612 1.00 0.00 C ATOM 598 O ALA A 40 12.222 11.205 -7.738 1.00 0.00 O ATOM 599 CB ALA A 40 12.211 11.830 -11.076 1.00 0.00 C ATOM 0 H ALA A 40 14.288 11.564 -8.567 1.00 0.00 H new ATOM 0 HA ALA A 40 12.723 13.490 -9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.196 12.185 -11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.859 12.156 -11.889 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.211 10.741 -11.027 1.00 0.00 H new ATOM 605 N SER A 41 10.582 12.374 -8.613 1.00 0.00 N ATOM 606 CA SER A 41 9.647 11.962 -7.529 1.00 0.00 C ATOM 607 C SER A 41 8.207 12.045 -8.041 1.00 0.00 C ATOM 608 O SER A 41 7.573 13.079 -7.977 1.00 0.00 O ATOM 609 CB SER A 41 9.815 12.895 -6.330 1.00 0.00 C ATOM 610 OG SER A 41 11.201 13.098 -6.084 1.00 0.00 O ATOM 0 H SER A 41 10.183 12.994 -9.318 1.00 0.00 H new ATOM 0 HA SER A 41 9.868 10.938 -7.227 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.325 13.849 -6.525 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.337 12.465 -5.450 1.00 0.00 H new ATOM 0 HG SER A 41 11.313 13.697 -5.317 1.00 0.00 H new ATOM 616 N MET A 42 7.686 10.961 -8.548 1.00 0.00 N ATOM 617 CA MET A 42 6.287 10.978 -9.064 1.00 0.00 C ATOM 618 C MET A 42 5.426 10.023 -8.236 1.00 0.00 C ATOM 619 O MET A 42 5.844 8.936 -7.889 1.00 0.00 O ATOM 620 CB MET A 42 6.279 10.532 -10.528 1.00 0.00 C ATOM 621 CG MET A 42 6.766 11.680 -11.415 1.00 0.00 C ATOM 622 SD MET A 42 6.505 11.251 -13.153 1.00 0.00 S ATOM 623 CE MET A 42 4.731 10.913 -13.039 1.00 0.00 C ATOM 0 H MET A 42 8.168 10.065 -8.627 1.00 0.00 H new ATOM 0 HA MET A 42 5.884 11.988 -8.989 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.921 9.661 -10.657 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.273 10.233 -10.822 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.228 12.596 -11.171 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.823 11.872 -11.232 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.257 11.129 -13.997 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.576 9.864 -12.786 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.290 11.542 -12.266 1.00 0.00 H new ATOM 633 N GLU A 43 4.223 10.419 -7.918 1.00 0.00 N ATOM 634 CA GLU A 43 3.335 9.534 -7.114 1.00 0.00 C ATOM 635 C GLU A 43 2.423 8.741 -8.053 1.00 0.00 C ATOM 636 O GLU A 43 2.531 8.832 -9.260 1.00 0.00 O ATOM 637 CB GLU A 43 2.483 10.386 -6.171 1.00 0.00 C ATOM 638 CG GLU A 43 1.911 11.579 -6.939 1.00 0.00 C ATOM 639 CD GLU A 43 0.649 12.081 -6.236 1.00 0.00 C ATOM 640 OE1 GLU A 43 0.362 11.592 -5.155 1.00 0.00 O ATOM 641 OE2 GLU A 43 -0.010 12.947 -6.790 1.00 0.00 O ATOM 0 H GLU A 43 3.818 11.317 -8.181 1.00 0.00 H new ATOM 0 HA GLU A 43 3.942 8.844 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.674 9.787 -5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.087 10.735 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.651 12.377 -6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.678 11.288 -7.963 1.00 0.00 H new ATOM 648 N VAL A 44 1.524 7.965 -7.510 1.00 0.00 N ATOM 649 CA VAL A 44 0.608 7.171 -8.375 1.00 0.00 C ATOM 650 C VAL A 44 -0.782 7.112 -7.730 1.00 0.00 C ATOM 651 O VAL A 44 -0.896 6.958 -6.529 1.00 0.00 O ATOM 652 CB VAL A 44 1.158 5.752 -8.527 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.214 4.928 -9.405 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.541 5.808 -9.181 1.00 0.00 C ATOM 0 H VAL A 44 1.385 7.847 -6.506 1.00 0.00 H new ATOM 0 HA VAL A 44 0.534 7.642 -9.355 1.00 0.00 H new ATOM 0 HB VAL A 44 1.238 5.288 -7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.607 3.917 -9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.771 4.887 -8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.133 5.392 -10.388 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.933 4.797 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.460 6.273 -10.163 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.215 6.394 -8.556 1.00 0.00 H new ATOM 664 N PRO A 45 -1.799 7.235 -8.546 1.00 0.00 N ATOM 665 CA PRO A 45 -3.196 7.199 -8.082 1.00 0.00 C ATOM 666 C PRO A 45 -3.639 5.753 -7.835 1.00 0.00 C ATOM 667 O PRO A 45 -2.836 4.843 -7.813 1.00 0.00 O ATOM 668 CB PRO A 45 -3.978 7.812 -9.246 1.00 0.00 C ATOM 669 CG PRO A 45 -3.094 7.638 -10.504 1.00 0.00 C ATOM 670 CD PRO A 45 -1.653 7.423 -10.004 1.00 0.00 C ATOM 0 HA PRO A 45 -3.349 7.731 -7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.939 7.313 -9.374 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.188 8.866 -9.061 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.429 6.788 -11.098 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.154 8.518 -11.145 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.194 6.553 -10.474 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.020 8.280 -10.234 1.00 0.00 H new ATOM 678 N SER A 46 -4.912 5.541 -7.651 1.00 0.00 N ATOM 679 CA SER A 46 -5.409 4.157 -7.409 1.00 0.00 C ATOM 680 C SER A 46 -5.635 3.458 -8.756 1.00 0.00 C ATOM 681 O SER A 46 -6.362 3.958 -9.591 1.00 0.00 O ATOM 682 CB SER A 46 -6.731 4.221 -6.643 1.00 0.00 C ATOM 683 OG SER A 46 -7.302 2.921 -6.584 1.00 0.00 O ATOM 0 H SER A 46 -5.630 6.266 -7.658 1.00 0.00 H new ATOM 0 HA SER A 46 -4.676 3.600 -6.826 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.563 4.603 -5.636 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.417 4.910 -7.135 1.00 0.00 H new ATOM 0 HG SER A 46 -8.148 2.912 -7.079 1.00 0.00 H new ATOM 689 N PRO A 47 -5.005 2.320 -8.933 1.00 0.00 N ATOM 690 CA PRO A 47 -5.124 1.538 -10.175 1.00 0.00 C ATOM 691 C PRO A 47 -6.446 0.766 -10.196 1.00 0.00 C ATOM 692 O PRO A 47 -6.744 0.049 -11.132 1.00 0.00 O ATOM 693 CB PRO A 47 -3.932 0.580 -10.113 1.00 0.00 C ATOM 694 CG PRO A 47 -3.540 0.468 -8.620 1.00 0.00 C ATOM 695 CD PRO A 47 -4.120 1.711 -7.919 1.00 0.00 C ATOM 0 HA PRO A 47 -5.120 2.156 -11.073 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.196 -0.396 -10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.099 0.957 -10.706 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.940 -0.446 -8.182 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.457 0.429 -8.506 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.673 1.439 -7.020 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.332 2.399 -7.613 1.00 0.00 H new ATOM 703 N LYS A 48 -7.241 0.907 -9.172 1.00 0.00 N ATOM 704 CA LYS A 48 -8.542 0.183 -9.133 1.00 0.00 C ATOM 705 C LYS A 48 -9.476 0.864 -8.131 1.00 0.00 C ATOM 706 O LYS A 48 -9.166 0.985 -6.963 1.00 0.00 O ATOM 707 CB LYS A 48 -8.307 -1.267 -8.705 1.00 0.00 C ATOM 708 CG LYS A 48 -8.571 -2.199 -9.890 1.00 0.00 C ATOM 709 CD LYS A 48 -10.037 -2.085 -10.314 1.00 0.00 C ATOM 710 CE LYS A 48 -10.329 -3.100 -11.419 1.00 0.00 C ATOM 711 NZ LYS A 48 -9.908 -2.540 -12.734 1.00 0.00 N ATOM 0 H LYS A 48 -7.046 1.493 -8.360 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.996 0.201 -10.124 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.283 -1.392 -8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.964 -1.523 -7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.919 -1.938 -10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.340 -3.228 -9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.689 -2.265 -9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.247 -1.076 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.798 -4.031 -11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.393 -3.338 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.107 -3.231 -13.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.434 -1.663 -12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.889 -2.335 -12.714 1.00 0.00 H new ATOM 725 N ALA A 49 -10.618 1.310 -8.578 1.00 0.00 N ATOM 726 CA ALA A 49 -11.570 1.981 -7.649 1.00 0.00 C ATOM 727 C ALA A 49 -12.194 0.938 -6.719 1.00 0.00 C ATOM 728 O ALA A 49 -13.275 0.440 -6.965 1.00 0.00 O ATOM 729 CB ALA A 49 -12.671 2.669 -8.457 1.00 0.00 C ATOM 0 H ALA A 49 -10.933 1.239 -9.546 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.037 2.724 -7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.368 3.160 -7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.226 3.411 -9.120 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.205 1.927 -9.050 1.00 0.00 H new ATOM 735 N GLY A 50 -11.521 0.603 -5.652 1.00 0.00 N ATOM 736 CA GLY A 50 -12.076 -0.408 -4.708 1.00 0.00 C ATOM 737 C GLY A 50 -11.579 -0.114 -3.292 1.00 0.00 C ATOM 738 O GLY A 50 -10.994 0.918 -3.031 1.00 0.00 O ATOM 0 H GLY A 50 -10.611 0.985 -5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.165 -0.385 -4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.771 -1.410 -5.011 1.00 0.00 H new ATOM 742 N VAL A 51 -11.806 -1.014 -2.375 1.00 0.00 N ATOM 743 CA VAL A 51 -11.346 -0.785 -0.976 1.00 0.00 C ATOM 744 C VAL A 51 -9.994 -1.468 -0.764 1.00 0.00 C ATOM 745 O VAL A 51 -9.701 -2.485 -1.361 1.00 0.00 O ATOM 746 CB VAL A 51 -12.370 -1.368 0.000 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.355 -2.895 -0.096 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.012 -0.944 1.426 1.00 0.00 C ATOM 0 H VAL A 51 -12.290 -1.898 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.243 0.286 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.364 -0.998 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.084 -3.310 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.608 -3.198 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.361 -3.266 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.741 -1.359 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.018 -1.315 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.022 0.144 1.495 1.00 0.00 H new ATOM 758 N VAL A 52 -9.165 -0.916 0.080 1.00 0.00 N ATOM 759 CA VAL A 52 -7.833 -1.534 0.330 1.00 0.00 C ATOM 760 C VAL A 52 -8.001 -2.763 1.225 1.00 0.00 C ATOM 761 O VAL A 52 -8.747 -2.747 2.184 1.00 0.00 O ATOM 762 CB VAL A 52 -6.921 -0.519 1.021 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.512 -1.100 1.147 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.870 0.767 0.192 1.00 0.00 C ATOM 0 H VAL A 52 -9.353 -0.063 0.607 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.388 -1.834 -0.619 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.312 -0.297 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.863 -0.376 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.548 -2.016 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.120 -1.323 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.220 1.491 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.480 0.544 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.874 1.182 0.102 1.00 0.00 H new ATOM 774 N LYS A 53 -7.311 -3.830 0.922 1.00 0.00 N ATOM 775 CA LYS A 53 -7.433 -5.057 1.757 1.00 0.00 C ATOM 776 C LYS A 53 -6.382 -5.024 2.868 1.00 0.00 C ATOM 777 O LYS A 53 -6.670 -5.290 4.018 1.00 0.00 O ATOM 778 CB LYS A 53 -7.212 -6.293 0.883 1.00 0.00 C ATOM 779 CG LYS A 53 -7.213 -7.547 1.759 1.00 0.00 C ATOM 780 CD LYS A 53 -8.500 -8.339 1.518 1.00 0.00 C ATOM 781 CE LYS A 53 -9.541 -7.954 2.570 1.00 0.00 C ATOM 782 NZ LYS A 53 -10.271 -6.734 2.125 1.00 0.00 N ATOM 0 H LYS A 53 -6.669 -3.904 0.133 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.428 -5.098 2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.996 -6.363 0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.265 -6.210 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.345 -8.165 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.136 -7.269 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.884 -8.134 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.296 -9.409 1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.242 -8.775 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.054 -7.770 3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.177 -5.991 2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.869 -6.398 1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.277 -6.961 1.991 1.00 0.00 H new ATOM 796 N SER A 54 -5.162 -4.699 2.535 1.00 0.00 N ATOM 797 CA SER A 54 -4.094 -4.649 3.573 1.00 0.00 C ATOM 798 C SER A 54 -2.762 -4.282 2.916 1.00 0.00 C ATOM 799 O SER A 54 -2.476 -4.679 1.804 1.00 0.00 O ATOM 800 CB SER A 54 -3.971 -6.017 4.244 1.00 0.00 C ATOM 801 OG SER A 54 -4.363 -5.907 5.606 1.00 0.00 O ATOM 0 H SER A 54 -4.859 -4.466 1.589 1.00 0.00 H new ATOM 0 HA SER A 54 -4.349 -3.899 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.599 -6.745 3.730 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.944 -6.377 4.177 1.00 0.00 H new ATOM 0 HG SER A 54 -5.308 -5.650 5.655 1.00 0.00 H new ATOM 807 N VAL A 55 -1.943 -3.526 3.595 1.00 0.00 N ATOM 808 CA VAL A 55 -0.630 -3.135 3.009 1.00 0.00 C ATOM 809 C VAL A 55 0.406 -4.222 3.306 1.00 0.00 C ATOM 810 O VAL A 55 0.783 -4.440 4.439 1.00 0.00 O ATOM 811 CB VAL A 55 -0.170 -1.812 3.623 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.967 -1.227 2.784 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.343 -0.828 3.647 1.00 0.00 C ATOM 0 H VAL A 55 -2.127 -3.162 4.530 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.735 -3.018 1.930 1.00 0.00 H new ATOM 0 HB VAL A 55 0.182 -1.986 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.294 -0.284 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.802 -1.927 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.616 -1.052 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.017 0.116 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.693 -0.655 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.154 -1.244 4.244 1.00 0.00 H new ATOM 823 N SER A 56 0.868 -4.906 2.295 1.00 0.00 N ATOM 824 CA SER A 56 1.878 -5.977 2.520 1.00 0.00 C ATOM 825 C SER A 56 3.284 -5.385 2.409 1.00 0.00 C ATOM 826 O SER A 56 4.259 -6.097 2.271 1.00 0.00 O ATOM 827 CB SER A 56 1.702 -7.072 1.468 1.00 0.00 C ATOM 828 OG SER A 56 0.418 -7.665 1.616 1.00 0.00 O ATOM 0 H SER A 56 0.589 -4.769 1.323 1.00 0.00 H new ATOM 0 HA SER A 56 1.741 -6.402 3.514 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.808 -6.652 0.468 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.479 -7.828 1.580 1.00 0.00 H new ATOM 0 HG SER A 56 0.302 -8.366 0.941 1.00 0.00 H new ATOM 834 N VAL A 57 3.397 -4.086 2.466 1.00 0.00 N ATOM 835 CA VAL A 57 4.740 -3.449 2.363 1.00 0.00 C ATOM 836 C VAL A 57 4.832 -2.290 3.356 1.00 0.00 C ATOM 837 O VAL A 57 3.834 -1.742 3.781 1.00 0.00 O ATOM 838 CB VAL A 57 4.947 -2.922 0.942 1.00 0.00 C ATOM 839 CG1 VAL A 57 5.320 -4.081 0.016 1.00 0.00 C ATOM 840 CG2 VAL A 57 3.653 -2.272 0.447 1.00 0.00 C ATOM 0 H VAL A 57 2.617 -3.438 2.579 1.00 0.00 H new ATOM 0 HA VAL A 57 5.510 -4.185 2.593 1.00 0.00 H new ATOM 0 HB VAL A 57 5.749 -2.184 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.467 -3.705 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.241 -4.546 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.518 -4.819 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.799 -1.896 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.851 -3.011 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.386 -1.446 1.106 1.00 0.00 H new ATOM 850 N LYS A 58 6.024 -1.910 3.730 1.00 0.00 N ATOM 851 CA LYS A 58 6.178 -0.785 4.695 1.00 0.00 C ATOM 852 C LYS A 58 6.642 0.467 3.948 1.00 0.00 C ATOM 853 O LYS A 58 7.371 0.390 2.979 1.00 0.00 O ATOM 854 CB LYS A 58 7.217 -1.161 5.753 1.00 0.00 C ATOM 855 CG LYS A 58 6.588 -1.059 7.145 1.00 0.00 C ATOM 856 CD LYS A 58 7.499 -1.740 8.168 1.00 0.00 C ATOM 857 CE LYS A 58 8.700 -0.839 8.461 1.00 0.00 C ATOM 858 NZ LYS A 58 9.873 -1.300 7.665 1.00 0.00 N ATOM 0 H LYS A 58 6.896 -2.330 3.409 1.00 0.00 H new ATOM 0 HA LYS A 58 5.221 -0.587 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.578 -2.174 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.080 -0.498 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.440 -0.013 7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.605 -1.530 7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.947 -1.939 9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.838 -2.703 7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.462 0.195 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.936 -0.864 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.750 -1.081 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.808 -2.327 7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.881 -0.815 6.745 1.00 0.00 H new ATOM 872 N LEU A 59 6.227 1.622 4.392 1.00 0.00 N ATOM 873 CA LEU A 59 6.645 2.878 3.707 1.00 0.00 C ATOM 874 C LEU A 59 8.170 2.995 3.743 1.00 0.00 C ATOM 875 O LEU A 59 8.804 2.680 4.731 1.00 0.00 O ATOM 876 CB LEU A 59 6.024 4.080 4.422 1.00 0.00 C ATOM 877 CG LEU A 59 6.161 3.900 5.935 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.867 5.118 6.532 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.770 3.763 6.559 1.00 0.00 C ATOM 0 H LEU A 59 5.617 1.750 5.199 1.00 0.00 H new ATOM 0 HA LEU A 59 6.307 2.857 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.519 4.999 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.973 4.175 4.150 1.00 0.00 H new ATOM 0 HG LEU A 59 6.745 3.003 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.965 4.990 7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.857 5.219 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.283 6.015 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.866 3.635 7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.188 4.661 6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.264 2.896 6.134 1.00 0.00 H new ATOM 891 N GLY A 60 8.765 3.447 2.673 1.00 0.00 N ATOM 892 CA GLY A 60 10.249 3.583 2.647 1.00 0.00 C ATOM 893 C GLY A 60 10.873 2.291 2.117 1.00 0.00 C ATOM 894 O GLY A 60 12.049 2.236 1.817 1.00 0.00 O ATOM 0 H GLY A 60 8.288 3.728 1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.536 4.423 2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.623 3.795 3.649 1.00 0.00 H new ATOM 898 N ASP A 61 10.095 1.250 2.001 1.00 0.00 N ATOM 899 CA ASP A 61 10.645 -0.038 1.492 1.00 0.00 C ATOM 900 C ASP A 61 10.896 0.075 -0.013 1.00 0.00 C ATOM 901 O ASP A 61 10.123 0.669 -0.738 1.00 0.00 O ATOM 902 CB ASP A 61 9.643 -1.163 1.760 1.00 0.00 C ATOM 903 CG ASP A 61 9.795 -1.650 3.202 1.00 0.00 C ATOM 904 OD1 ASP A 61 10.406 -0.942 3.984 1.00 0.00 O ATOM 905 OD2 ASP A 61 9.297 -2.724 3.498 1.00 0.00 O ATOM 0 H ASP A 61 9.103 1.236 2.237 1.00 0.00 H new ATOM 0 HA ASP A 61 11.583 -0.259 2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.627 -0.807 1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.812 -1.987 1.067 1.00 0.00 H new ATOM 910 N LYS A 62 11.971 -0.491 -0.489 1.00 0.00 N ATOM 911 CA LYS A 62 12.269 -0.416 -1.947 1.00 0.00 C ATOM 912 C LYS A 62 11.817 -1.710 -2.627 1.00 0.00 C ATOM 913 O LYS A 62 12.081 -2.797 -2.152 1.00 0.00 O ATOM 914 CB LYS A 62 13.774 -0.231 -2.151 1.00 0.00 C ATOM 915 CG LYS A 62 14.285 0.868 -1.216 1.00 0.00 C ATOM 916 CD LYS A 62 15.443 0.327 -0.377 1.00 0.00 C ATOM 917 CE LYS A 62 16.697 1.165 -0.635 1.00 0.00 C ATOM 918 NZ LYS A 62 17.442 1.351 0.642 1.00 0.00 N ATOM 0 H LYS A 62 12.656 -1.002 0.068 1.00 0.00 H new ATOM 0 HA LYS A 62 11.737 0.429 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.297 -1.166 -1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.981 0.034 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.614 1.730 -1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.480 1.210 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.184 0.357 0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.632 -0.716 -0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.332 0.671 -1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.421 2.134 -1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.294 1.921 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.834 1.840 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.718 0.423 1.021 1.00 0.00 H new ATOM 932 N LEU A 63 11.139 -1.603 -3.737 1.00 0.00 N ATOM 933 CA LEU A 63 10.672 -2.827 -4.446 1.00 0.00 C ATOM 934 C LEU A 63 10.837 -2.636 -5.955 1.00 0.00 C ATOM 935 O LEU A 63 10.981 -1.531 -6.439 1.00 0.00 O ATOM 936 CB LEU A 63 9.197 -3.072 -4.122 1.00 0.00 C ATOM 937 CG LEU A 63 9.023 -3.207 -2.608 1.00 0.00 C ATOM 938 CD1 LEU A 63 8.053 -2.134 -2.109 1.00 0.00 C ATOM 939 CD2 LEU A 63 8.462 -4.592 -2.281 1.00 0.00 C ATOM 0 H LEU A 63 10.888 -0.721 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 63 11.263 -3.683 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.590 -2.248 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.849 -3.977 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 63 9.989 -3.081 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.928 -2.229 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.451 -1.147 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.087 -2.261 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.338 -4.689 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.496 -4.718 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.152 -5.357 -2.637 1.00 0.00 H new ATOM 951 N LYS A 64 10.818 -3.705 -6.703 1.00 0.00 N ATOM 952 CA LYS A 64 10.974 -3.584 -8.180 1.00 0.00 C ATOM 953 C LYS A 64 9.841 -4.342 -8.876 1.00 0.00 C ATOM 954 O LYS A 64 9.213 -5.205 -8.296 1.00 0.00 O ATOM 955 CB LYS A 64 12.320 -4.177 -8.602 1.00 0.00 C ATOM 956 CG LYS A 64 12.783 -3.520 -9.903 1.00 0.00 C ATOM 957 CD LYS A 64 12.763 -4.553 -11.033 1.00 0.00 C ATOM 958 CE LYS A 64 13.923 -4.283 -11.992 1.00 0.00 C ATOM 959 NZ LYS A 64 13.728 -5.072 -13.241 1.00 0.00 N ATOM 0 H LYS A 64 10.701 -4.657 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 64 10.936 -2.532 -8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.061 -4.018 -7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.227 -5.254 -8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.132 -2.682 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.789 -3.118 -9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.844 -5.559 -10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.815 -4.503 -11.569 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.976 -3.220 -12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.868 -4.554 -11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.517 -4.889 -13.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.698 -6.086 -13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.833 -4.793 -13.692 1.00 0.00 H new ATOM 973 N GLU A 65 9.576 -4.023 -10.114 1.00 0.00 N ATOM 974 CA GLU A 65 8.484 -4.722 -10.848 1.00 0.00 C ATOM 975 C GLU A 65 8.543 -6.221 -10.554 1.00 0.00 C ATOM 976 O GLU A 65 9.461 -6.907 -10.958 1.00 0.00 O ATOM 977 CB GLU A 65 8.653 -4.490 -12.352 1.00 0.00 C ATOM 978 CG GLU A 65 7.766 -3.325 -12.792 1.00 0.00 C ATOM 979 CD GLU A 65 8.070 -2.972 -14.249 1.00 0.00 C ATOM 980 OE1 GLU A 65 9.004 -2.219 -14.472 1.00 0.00 O ATOM 981 OE2 GLU A 65 7.364 -3.461 -15.116 1.00 0.00 O ATOM 0 H GLU A 65 10.069 -3.308 -10.649 1.00 0.00 H new ATOM 0 HA GLU A 65 7.521 -4.329 -10.523 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.696 -4.274 -12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.386 -5.392 -12.902 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.715 -3.593 -12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.941 -2.459 -12.153 1.00 0.00 H new ATOM 988 N GLY A 66 7.571 -6.737 -9.852 1.00 0.00 N ATOM 989 CA GLY A 66 7.572 -8.192 -9.533 1.00 0.00 C ATOM 990 C GLY A 66 7.119 -8.399 -8.087 1.00 0.00 C ATOM 991 O GLY A 66 6.474 -9.376 -7.762 1.00 0.00 O ATOM 0 H GLY A 66 6.776 -6.213 -9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.907 -8.724 -10.213 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.571 -8.605 -9.675 1.00 0.00 H new ATOM 995 N ASP A 67 7.451 -7.486 -7.215 1.00 0.00 N ATOM 996 CA ASP A 67 7.039 -7.632 -5.790 1.00 0.00 C ATOM 997 C ASP A 67 5.615 -7.098 -5.615 1.00 0.00 C ATOM 998 O ASP A 67 5.232 -6.116 -6.218 1.00 0.00 O ATOM 999 CB ASP A 67 7.994 -6.835 -4.900 1.00 0.00 C ATOM 1000 CG ASP A 67 9.272 -7.645 -4.669 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.696 -8.321 -5.592 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.805 -7.576 -3.574 1.00 0.00 O ATOM 0 H ASP A 67 7.989 -6.646 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 67 7.071 -8.684 -5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.235 -5.881 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.516 -6.609 -3.947 1.00 0.00 H new ATOM 1007 N ALA A 68 4.829 -7.737 -4.792 1.00 0.00 N ATOM 1008 CA ALA A 68 3.431 -7.266 -4.579 1.00 0.00 C ATOM 1009 C ALA A 68 3.439 -6.061 -3.636 1.00 0.00 C ATOM 1010 O ALA A 68 4.380 -5.845 -2.898 1.00 0.00 O ATOM 1011 CB ALA A 68 2.601 -8.393 -3.962 1.00 0.00 C ATOM 0 H ALA A 68 5.094 -8.565 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 68 2.994 -6.977 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.579 -8.049 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.596 -9.251 -4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.036 -8.683 -3.006 1.00 0.00 H new ATOM 1017 N ILE A 69 2.398 -5.276 -3.653 1.00 0.00 N ATOM 1018 CA ILE A 69 2.346 -4.087 -2.757 1.00 0.00 C ATOM 1019 C ILE A 69 1.090 -4.158 -1.886 1.00 0.00 C ATOM 1020 O ILE A 69 1.165 -4.203 -0.675 1.00 0.00 O ATOM 1021 CB ILE A 69 2.309 -2.812 -3.602 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.447 -2.847 -4.625 1.00 0.00 C ATOM 1023 CG2 ILE A 69 2.478 -1.592 -2.695 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.778 -3.059 -3.902 1.00 0.00 C ATOM 0 H ILE A 69 1.581 -5.406 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 69 3.230 -4.075 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 69 1.353 -2.748 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.280 -3.649 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.472 -1.914 -5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.452 -0.684 -3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.669 -1.567 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.434 -1.655 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.588 -3.084 -4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.946 -2.241 -3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.750 -4.003 -3.358 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.064 -4.167 -2.494 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.323 -4.235 -1.700 1.00 0.00 C ATOM 1038 C ILE A 70 -2.341 -5.114 -2.431 1.00 0.00 C ATOM 1039 O ILE A 70 -2.053 -5.687 -3.463 1.00 0.00 O ATOM 1040 CB ILE A 70 -1.895 -2.827 -1.530 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.178 -2.223 -2.907 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -0.883 -1.951 -0.788 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -2.562 -0.750 -2.750 1.00 0.00 C ATOM 0 H ILE A 70 -0.190 -4.130 -3.506 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.111 -4.662 -0.720 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.821 -2.878 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.298 -2.314 -3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.984 -2.770 -3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.290 -0.947 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.680 -2.381 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.043 -1.900 -1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.764 -0.320 -3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.454 -0.671 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.742 -0.209 -2.278 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.530 -5.224 -1.905 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.564 -6.065 -2.570 1.00 0.00 C ATOM 1057 C GLU A 71 -5.913 -5.344 -2.527 1.00 0.00 C ATOM 1058 O GLU A 71 -6.535 -5.233 -1.489 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.678 -7.405 -1.841 1.00 0.00 C ATOM 1060 CG GLU A 71 -5.232 -8.462 -2.799 1.00 0.00 C ATOM 1061 CD GLU A 71 -6.729 -8.645 -2.547 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -7.311 -7.784 -1.908 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -7.269 -9.641 -2.999 1.00 0.00 O ATOM 0 H GLU A 71 -3.830 -4.768 -1.043 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.278 -6.239 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.701 -7.713 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.332 -7.305 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.061 -8.158 -3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.710 -9.408 -2.655 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.370 -4.852 -3.646 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.678 -4.139 -3.667 1.00 0.00 C ATOM 1072 C LEU A 72 -8.801 -5.141 -3.945 1.00 0.00 C ATOM 1073 O LEU A 72 -8.653 -6.047 -4.742 1.00 0.00 O ATOM 1074 CB LEU A 72 -7.660 -3.074 -4.766 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.077 -2.541 -4.984 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.011 -1.081 -5.433 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.776 -3.375 -6.061 1.00 0.00 C ATOM 0 H LEU A 72 -5.894 -4.913 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.848 -3.662 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.993 -2.259 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.273 -3.499 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.637 -2.608 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.021 -0.702 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.514 -0.487 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.450 -1.012 -6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.786 -2.996 -6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.216 -3.308 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.825 -4.416 -5.741 1.00 0.00 H new ATOM 1089 N GLU A 73 -9.921 -4.986 -3.295 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.051 -5.931 -3.524 1.00 0.00 C ATOM 1091 C GLU A 73 -12.180 -5.208 -4.263 1.00 0.00 C ATOM 1092 O GLU A 73 -12.267 -3.997 -4.225 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.568 -6.443 -2.177 1.00 0.00 C ATOM 1094 CG GLU A 73 -11.380 -7.959 -2.100 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.452 -8.561 -1.190 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -13.569 -8.069 -1.218 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -12.139 -9.503 -0.481 1.00 0.00 O ATOM 0 H GLU A 73 -10.103 -4.247 -2.616 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.705 -6.772 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.032 -5.958 -1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.622 -6.190 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.447 -8.395 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.388 -8.194 -1.715 1.00 0.00 H new ATOM 1104 N PRO A 74 -13.012 -5.979 -4.916 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.155 -5.446 -5.680 1.00 0.00 C ATOM 1106 C PRO A 74 -15.301 -5.070 -4.736 1.00 0.00 C ATOM 1107 O PRO A 74 -15.853 -5.908 -4.051 1.00 0.00 O ATOM 1108 CB PRO A 74 -14.553 -6.613 -6.587 1.00 0.00 C ATOM 1109 CG PRO A 74 -14.014 -7.896 -5.911 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.893 -7.451 -4.953 1.00 0.00 C ATOM 0 HA PRO A 74 -13.915 -4.541 -6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.636 -6.662 -6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.129 -6.492 -7.584 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.807 -8.410 -5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.633 -8.595 -6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.020 -7.886 -3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.913 -7.763 -5.314 1.00 0.00 H new