USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 607 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= 0.146 (180deg=0) USER MOD Single : A 1 SER OG : rot -170:sc=-0.00487 USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00702) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0592 USER MOD Single : A 30 GLN : amide:sc= -1.01 K(o=-1,f=-2.6) USER MOD Single : A 37 SER OG : rot 101:sc= 1.42 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 136:sc= 0.219 USER MOD Single : A 48 LYS NZ :NH3+ -129:sc= 0.0816 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 72:sc= 0.791 USER MOD Single : A 56 SER OG : rot 180:sc=0.000619 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -9.943 -9.783 -6.431 1.00 0.00 N ATOM 2 CA SER A 1 -9.219 -8.483 -6.345 1.00 0.00 C ATOM 3 C SER A 1 -8.008 -8.511 -7.279 1.00 0.00 C ATOM 4 O SER A 1 -7.718 -9.511 -7.906 1.00 0.00 O ATOM 5 CB SER A 1 -8.749 -8.256 -4.908 1.00 0.00 C ATOM 6 OG SER A 1 -7.672 -9.137 -4.621 1.00 0.00 O ATOM 0 H1 SER A 1 -10.918 -9.617 -6.753 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.457 -10.407 -7.106 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.961 -10.233 -5.494 1.00 0.00 H new ATOM 0 HA SER A 1 -9.887 -7.674 -6.641 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.432 -7.221 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.571 -8.429 -4.213 1.00 0.00 H new ATOM 0 HG SER A 1 -7.472 -9.108 -3.662 1.00 0.00 H new ATOM 14 N GLU A 2 -7.297 -7.421 -7.378 1.00 0.00 N ATOM 15 CA GLU A 2 -6.105 -7.387 -8.271 1.00 0.00 C ATOM 16 C GLU A 2 -4.945 -6.701 -7.548 1.00 0.00 C ATOM 17 O GLU A 2 -5.119 -5.692 -6.893 1.00 0.00 O ATOM 18 CB GLU A 2 -6.445 -6.608 -9.544 1.00 0.00 C ATOM 19 CG GLU A 2 -7.495 -7.376 -10.348 1.00 0.00 C ATOM 20 CD GLU A 2 -8.281 -6.399 -11.226 1.00 0.00 C ATOM 21 OE1 GLU A 2 -7.812 -6.105 -12.313 1.00 0.00 O ATOM 22 OE2 GLU A 2 -9.335 -5.963 -10.796 1.00 0.00 O ATOM 0 H GLU A 2 -7.490 -6.553 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.818 -8.405 -8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.821 -5.618 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.547 -6.462 -10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.013 -8.132 -10.968 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.172 -7.901 -9.674 1.00 0.00 H new ATOM 29 N ILE A 3 -3.763 -7.239 -7.661 1.00 0.00 N ATOM 30 CA ILE A 3 -2.593 -6.616 -6.979 1.00 0.00 C ATOM 31 C ILE A 3 -2.059 -5.465 -7.834 1.00 0.00 C ATOM 32 O ILE A 3 -2.191 -5.462 -9.041 1.00 0.00 O ATOM 33 CB ILE A 3 -1.494 -7.665 -6.793 1.00 0.00 C ATOM 34 CG1 ILE A 3 -0.403 -7.101 -5.880 1.00 0.00 C ATOM 35 CG2 ILE A 3 -0.887 -8.016 -8.152 1.00 0.00 C ATOM 36 CD1 ILE A 3 -0.099 -8.106 -4.767 1.00 0.00 C ATOM 0 H ILE A 3 -3.556 -8.083 -8.196 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.900 -6.234 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.920 -8.562 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.499 -6.897 -6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.728 -6.153 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.104 -8.763 -8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.663 -8.416 -8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.460 -7.120 -8.602 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.678 -7.705 -4.117 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.002 -8.288 -4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.244 -9.043 -5.206 1.00 0.00 H new ATOM 48 N ILE A 4 -1.458 -4.485 -7.216 1.00 0.00 N ATOM 49 CA ILE A 4 -0.917 -3.335 -7.994 1.00 0.00 C ATOM 50 C ILE A 4 0.602 -3.271 -7.821 1.00 0.00 C ATOM 51 O ILE A 4 1.105 -2.735 -6.854 1.00 0.00 O ATOM 52 CB ILE A 4 -1.542 -2.035 -7.485 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.010 -1.974 -7.915 1.00 0.00 C ATOM 54 CG2 ILE A 4 -0.790 -0.840 -8.073 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.089 -1.758 -9.428 1.00 0.00 C ATOM 0 H ILE A 4 -1.318 -4.431 -6.207 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.158 -3.466 -9.049 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.478 -2.004 -6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.519 -2.898 -7.642 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.519 -1.163 -7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.236 0.086 -7.709 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.256 -0.883 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.853 -0.870 -9.161 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.134 -1.714 -9.735 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.595 -0.822 -9.688 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.594 -2.584 -9.940 1.00 0.00 H new ATOM 67 N ARG A 5 1.338 -3.814 -8.753 1.00 0.00 N ATOM 68 CA ARG A 5 2.823 -3.783 -8.639 1.00 0.00 C ATOM 69 C ARG A 5 3.361 -2.526 -9.326 1.00 0.00 C ATOM 70 O ARG A 5 2.676 -1.892 -10.105 1.00 0.00 O ATOM 71 CB ARG A 5 3.411 -5.024 -9.315 1.00 0.00 C ATOM 72 CG ARG A 5 2.887 -5.123 -10.749 1.00 0.00 C ATOM 73 CD ARG A 5 1.861 -6.254 -10.840 1.00 0.00 C ATOM 74 NE ARG A 5 2.531 -7.555 -10.559 1.00 0.00 N ATOM 75 CZ ARG A 5 2.430 -8.538 -11.412 1.00 0.00 C ATOM 76 NH1 ARG A 5 1.271 -9.099 -11.625 1.00 0.00 N ATOM 77 NH2 ARG A 5 3.487 -8.961 -12.049 1.00 0.00 N ATOM 0 H ARG A 5 0.975 -4.277 -9.587 1.00 0.00 H new ATOM 0 HA ARG A 5 3.107 -3.772 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.500 -4.968 -9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.139 -5.919 -8.755 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.431 -4.179 -11.047 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.712 -5.310 -11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.054 -6.086 -10.126 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.410 -6.272 -11.832 1.00 0.00 H new ATOM 0 HE ARG A 5 3.068 -7.677 -9.701 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.445 -8.769 -11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.191 -9.867 -12.291 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.393 -8.524 -11.881 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.407 -9.729 -12.715 1.00 0.00 H new ATOM 91 N VAL A 6 4.582 -2.160 -9.045 1.00 0.00 N ATOM 92 CA VAL A 6 5.161 -0.945 -9.682 1.00 0.00 C ATOM 93 C VAL A 6 5.119 -1.101 -11.207 1.00 0.00 C ATOM 94 O VAL A 6 5.338 -2.181 -11.720 1.00 0.00 O ATOM 95 CB VAL A 6 6.611 -0.773 -9.225 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.261 0.372 -10.002 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.638 -0.453 -7.728 1.00 0.00 C ATOM 0 H VAL A 6 5.203 -2.651 -8.402 1.00 0.00 H new ATOM 0 HA VAL A 6 4.582 -0.068 -9.390 1.00 0.00 H new ATOM 0 HB VAL A 6 7.162 -1.695 -9.411 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.294 0.493 -9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.242 0.145 -11.068 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.711 1.295 -9.817 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.670 -0.330 -7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.087 0.469 -7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.176 -1.270 -7.173 1.00 0.00 H new ATOM 107 N PRO A 7 4.839 -0.018 -11.886 1.00 0.00 N ATOM 108 CA PRO A 7 4.760 -0.002 -13.357 1.00 0.00 C ATOM 109 C PRO A 7 6.166 0.022 -13.967 1.00 0.00 C ATOM 110 O PRO A 7 7.157 -0.075 -13.272 1.00 0.00 O ATOM 111 CB PRO A 7 4.010 1.296 -13.664 1.00 0.00 C ATOM 112 CG PRO A 7 4.199 2.211 -12.431 1.00 0.00 C ATOM 113 CD PRO A 7 4.573 1.291 -11.253 1.00 0.00 C ATOM 0 HA PRO A 7 4.265 -0.881 -13.769 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.405 1.769 -14.563 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.953 1.101 -13.844 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.982 2.947 -12.611 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.285 2.764 -12.215 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.449 1.661 -10.721 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.763 1.225 -10.526 1.00 0.00 H new ATOM 121 N ASP A 8 6.257 0.150 -15.263 1.00 0.00 N ATOM 122 CA ASP A 8 7.596 0.181 -15.917 1.00 0.00 C ATOM 123 C ASP A 8 8.415 1.342 -15.351 1.00 0.00 C ATOM 124 O ASP A 8 8.198 2.489 -15.688 1.00 0.00 O ATOM 125 CB ASP A 8 7.422 0.367 -17.425 1.00 0.00 C ATOM 126 CG ASP A 8 8.784 0.627 -18.070 1.00 0.00 C ATOM 127 OD1 ASP A 8 9.783 0.407 -17.405 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.805 1.042 -19.217 1.00 0.00 O ATOM 0 H ASP A 8 5.462 0.234 -15.897 1.00 0.00 H new ATOM 0 HA ASP A 8 8.116 -0.757 -15.724 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.965 -0.522 -17.861 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.749 1.201 -17.624 1.00 0.00 H new ATOM 133 N ILE A 9 9.356 1.055 -14.493 1.00 0.00 N ATOM 134 CA ILE A 9 10.188 2.133 -13.907 1.00 0.00 C ATOM 135 C ILE A 9 11.611 2.019 -14.469 1.00 0.00 C ATOM 136 O ILE A 9 12.264 3.009 -14.735 1.00 0.00 O ATOM 137 CB ILE A 9 10.190 1.984 -12.374 1.00 0.00 C ATOM 138 CG1 ILE A 9 11.503 2.509 -11.793 1.00 0.00 C ATOM 139 CG2 ILE A 9 10.035 0.508 -11.996 1.00 0.00 C ATOM 140 CD1 ILE A 9 11.232 3.215 -10.464 1.00 0.00 C ATOM 0 H ILE A 9 9.582 0.113 -14.174 1.00 0.00 H new ATOM 0 HA ILE A 9 9.787 3.114 -14.162 1.00 0.00 H new ATOM 0 HB ILE A 9 9.358 2.560 -11.969 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.201 1.685 -11.643 1.00 0.00 H new ATOM 0 HG13 ILE A 9 11.972 3.200 -12.494 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.037 0.408 -10.911 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.094 0.127 -12.394 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.863 -0.064 -12.414 1.00 0.00 H new ATOM 0 HD11 ILE A 9 12.170 3.588 -10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.550 4.049 -10.628 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.783 2.511 -9.763 1.00 0.00 H new ATOM 152 N GLY A 10 12.094 0.821 -14.650 1.00 0.00 N ATOM 153 CA GLY A 10 13.472 0.647 -15.193 1.00 0.00 C ATOM 154 C GLY A 10 14.492 1.114 -14.155 1.00 0.00 C ATOM 155 O GLY A 10 15.350 1.928 -14.437 1.00 0.00 O ATOM 0 H GLY A 10 11.595 -0.045 -14.446 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.646 -0.399 -15.444 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.586 1.219 -16.114 1.00 0.00 H new ATOM 159 N GLY A 11 14.408 0.607 -12.956 1.00 0.00 N ATOM 160 CA GLY A 11 15.374 1.024 -11.900 1.00 0.00 C ATOM 161 C GLY A 11 14.826 0.640 -10.525 1.00 0.00 C ATOM 162 O GLY A 11 14.311 -0.444 -10.332 1.00 0.00 O ATOM 0 H GLY A 11 13.712 -0.078 -12.661 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.339 0.544 -12.065 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.540 2.100 -11.949 1.00 0.00 H new ATOM 166 N ASP A 12 14.932 1.519 -9.566 1.00 0.00 N ATOM 167 CA ASP A 12 14.416 1.202 -8.204 1.00 0.00 C ATOM 168 C ASP A 12 13.281 2.165 -7.852 1.00 0.00 C ATOM 169 O ASP A 12 13.350 3.347 -8.123 1.00 0.00 O ATOM 170 CB ASP A 12 15.546 1.351 -7.184 1.00 0.00 C ATOM 171 CG ASP A 12 15.208 0.553 -5.925 1.00 0.00 C ATOM 172 OD1 ASP A 12 15.176 -0.664 -6.009 1.00 0.00 O ATOM 173 OD2 ASP A 12 14.985 1.171 -4.897 1.00 0.00 O ATOM 0 H ASP A 12 15.353 2.442 -9.667 1.00 0.00 H new ATOM 0 HA ASP A 12 14.042 0.178 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.484 0.996 -7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.687 2.402 -6.934 1.00 0.00 H new ATOM 178 N GLY A 13 12.234 1.669 -7.251 1.00 0.00 N ATOM 179 CA GLY A 13 11.096 2.557 -6.883 1.00 0.00 C ATOM 180 C GLY A 13 11.030 2.702 -5.361 1.00 0.00 C ATOM 181 O GLY A 13 10.852 1.738 -4.644 1.00 0.00 O ATOM 0 H GLY A 13 12.118 0.687 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.220 3.536 -7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.161 2.142 -7.260 1.00 0.00 H new ATOM 185 N GLU A 14 11.171 3.900 -4.863 1.00 0.00 N ATOM 186 CA GLU A 14 11.116 4.105 -3.389 1.00 0.00 C ATOM 187 C GLU A 14 9.738 4.643 -3.000 1.00 0.00 C ATOM 188 O GLU A 14 9.241 5.585 -3.585 1.00 0.00 O ATOM 189 CB GLU A 14 12.192 5.111 -2.974 1.00 0.00 C ATOM 190 CG GLU A 14 13.237 4.412 -2.101 1.00 0.00 C ATOM 191 CD GLU A 14 13.079 4.869 -0.650 1.00 0.00 C ATOM 192 OE1 GLU A 14 12.471 5.905 -0.439 1.00 0.00 O ATOM 193 OE2 GLU A 14 13.569 4.174 0.226 1.00 0.00 O ATOM 0 H GLU A 14 11.322 4.745 -5.414 1.00 0.00 H new ATOM 0 HA GLU A 14 11.291 3.156 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.667 5.536 -3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.740 5.938 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.117 3.331 -2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.240 4.644 -2.459 1.00 0.00 H new ATOM 200 N VAL A 15 9.116 4.053 -2.016 1.00 0.00 N ATOM 201 CA VAL A 15 7.770 4.531 -1.592 1.00 0.00 C ATOM 202 C VAL A 15 7.925 5.756 -0.690 1.00 0.00 C ATOM 203 O VAL A 15 8.880 5.877 0.052 1.00 0.00 O ATOM 204 CB VAL A 15 7.052 3.420 -0.825 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.737 3.957 -0.257 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.759 2.254 -1.772 1.00 0.00 C ATOM 0 H VAL A 15 9.482 3.261 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 15 7.186 4.800 -2.472 1.00 0.00 H new ATOM 0 HB VAL A 15 7.686 3.076 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.226 3.164 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.944 4.788 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.102 4.302 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.247 1.462 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.126 2.599 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.695 1.870 -2.176 1.00 0.00 H new ATOM 216 N ILE A 16 6.992 6.667 -0.745 1.00 0.00 N ATOM 217 CA ILE A 16 7.087 7.883 0.110 1.00 0.00 C ATOM 218 C ILE A 16 5.959 7.869 1.144 1.00 0.00 C ATOM 219 O ILE A 16 6.195 7.922 2.335 1.00 0.00 O ATOM 220 CB ILE A 16 6.960 9.133 -0.763 1.00 0.00 C ATOM 221 CG1 ILE A 16 8.149 9.203 -1.726 1.00 0.00 C ATOM 222 CG2 ILE A 16 6.950 10.379 0.124 1.00 0.00 C ATOM 223 CD1 ILE A 16 8.034 10.463 -2.586 1.00 0.00 C ATOM 0 H ILE A 16 6.168 6.621 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 16 8.050 7.892 0.621 1.00 0.00 H new ATOM 0 HB ILE A 16 6.031 9.086 -1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.084 9.216 -1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.170 8.317 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.860 11.269 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.105 10.330 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.878 10.428 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.880 10.514 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.106 10.431 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.035 11.343 -1.943 1.00 0.00 H new ATOM 235 N GLU A 17 4.735 7.796 0.698 1.00 0.00 N ATOM 236 CA GLU A 17 3.593 7.778 1.655 1.00 0.00 C ATOM 237 C GLU A 17 2.352 7.220 0.957 1.00 0.00 C ATOM 238 O GLU A 17 2.283 7.160 -0.255 1.00 0.00 O ATOM 239 CB GLU A 17 3.310 9.202 2.139 1.00 0.00 C ATOM 240 CG GLU A 17 2.675 9.152 3.531 1.00 0.00 C ATOM 241 CD GLU A 17 3.524 9.967 4.508 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.177 10.897 4.063 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.506 9.649 5.686 1.00 0.00 O ATOM 0 H GLU A 17 4.476 7.748 -0.288 1.00 0.00 H new ATOM 0 HA GLU A 17 3.844 7.148 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.235 9.777 2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.643 9.709 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.661 9.550 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.600 8.119 3.871 1.00 0.00 H new ATOM 250 N LEU A 18 1.369 6.809 1.711 1.00 0.00 N ATOM 251 CA LEU A 18 0.134 6.254 1.090 1.00 0.00 C ATOM 252 C LEU A 18 -0.965 7.319 1.100 1.00 0.00 C ATOM 253 O LEU A 18 -1.106 8.069 2.046 1.00 0.00 O ATOM 254 CB LEU A 18 -0.332 5.032 1.883 1.00 0.00 C ATOM 255 CG LEU A 18 -0.540 3.853 0.932 1.00 0.00 C ATOM 256 CD1 LEU A 18 0.818 3.349 0.439 1.00 0.00 C ATOM 257 CD2 LEU A 18 -1.263 2.725 1.670 1.00 0.00 C ATOM 0 H LEU A 18 1.368 6.834 2.731 1.00 0.00 H new ATOM 0 HA LEU A 18 0.345 5.960 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.407 4.775 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.261 5.258 2.407 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.140 4.175 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.670 2.508 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.335 4.152 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.418 3.027 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.412 1.884 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.663 2.404 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.230 3.082 2.023 1.00 0.00 H new ATOM 269 N LEU A 19 -1.746 7.391 0.056 1.00 0.00 N ATOM 270 CA LEU A 19 -2.834 8.406 0.008 1.00 0.00 C ATOM 271 C LEU A 19 -4.161 7.750 0.392 1.00 0.00 C ATOM 272 O LEU A 19 -5.225 8.265 0.109 1.00 0.00 O ATOM 273 CB LEU A 19 -2.937 8.978 -1.407 1.00 0.00 C ATOM 274 CG LEU A 19 -1.535 9.259 -1.948 1.00 0.00 C ATOM 275 CD1 LEU A 19 -1.641 10.005 -3.280 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.765 10.120 -0.944 1.00 0.00 C ATOM 0 H LEU A 19 -1.677 6.790 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.611 9.211 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.455 8.274 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.525 9.896 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.009 8.316 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.641 10.205 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.191 9.394 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.167 10.948 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.235 10.321 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.292 11.062 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.689 9.591 0.006 1.00 0.00 H new ATOM 288 N VAL A 20 -4.109 6.615 1.034 1.00 0.00 N ATOM 289 CA VAL A 20 -5.369 5.926 1.434 1.00 0.00 C ATOM 290 C VAL A 20 -5.126 5.124 2.714 1.00 0.00 C ATOM 291 O VAL A 20 -4.010 4.995 3.176 1.00 0.00 O ATOM 292 CB VAL A 20 -5.811 4.981 0.315 1.00 0.00 C ATOM 293 CG1 VAL A 20 -6.154 5.793 -0.934 1.00 0.00 C ATOM 294 CG2 VAL A 20 -4.674 4.008 -0.007 1.00 0.00 C ATOM 0 H VAL A 20 -3.249 6.135 1.299 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.148 6.667 1.612 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.690 4.422 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.469 5.119 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.962 6.488 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.276 6.352 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.987 3.334 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.796 4.568 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.428 3.428 0.883 1.00 0.00 H new ATOM 304 N LYS A 21 -6.164 4.583 3.291 1.00 0.00 N ATOM 305 CA LYS A 21 -5.993 3.790 4.541 1.00 0.00 C ATOM 306 C LYS A 21 -6.483 2.359 4.308 1.00 0.00 C ATOM 307 O LYS A 21 -6.898 2.004 3.223 1.00 0.00 O ATOM 308 CB LYS A 21 -6.807 4.430 5.667 1.00 0.00 C ATOM 309 CG LYS A 21 -5.857 5.040 6.701 1.00 0.00 C ATOM 310 CD LYS A 21 -6.625 5.327 7.993 1.00 0.00 C ATOM 311 CE LYS A 21 -6.641 6.835 8.254 1.00 0.00 C ATOM 312 NZ LYS A 21 -5.288 7.275 8.699 1.00 0.00 N ATOM 0 H LYS A 21 -7.123 4.656 2.951 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.939 3.773 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.464 5.200 5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.444 3.683 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.032 4.356 6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.422 5.960 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.645 4.950 7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.157 4.807 8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.930 7.369 7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.383 7.075 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.329 8.268 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.973 6.680 9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.617 7.184 7.910 1.00 0.00 H new ATOM 326 N THR A 22 -6.436 1.534 5.318 1.00 0.00 N ATOM 327 CA THR A 22 -6.899 0.128 5.153 1.00 0.00 C ATOM 328 C THR A 22 -8.423 0.076 5.265 1.00 0.00 C ATOM 329 O THR A 22 -8.988 0.336 6.309 1.00 0.00 O ATOM 330 CB THR A 22 -6.276 -0.746 6.245 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.156 -0.076 6.804 1.00 0.00 O ATOM 332 CG2 THR A 22 -5.828 -2.079 5.642 1.00 0.00 C ATOM 0 H THR A 22 -6.097 1.773 6.250 1.00 0.00 H new ATOM 0 HA THR A 22 -6.595 -0.242 4.174 1.00 0.00 H new ATOM 0 HB THR A 22 -7.014 -0.934 7.025 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.757 -0.634 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.385 -2.700 6.421 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.689 -2.593 5.215 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.090 -1.895 4.861 1.00 0.00 H new ATOM 340 N GLY A 23 -9.096 -0.259 4.199 1.00 0.00 N ATOM 341 CA GLY A 23 -10.584 -0.327 4.246 1.00 0.00 C ATOM 342 C GLY A 23 -11.176 1.003 3.771 1.00 0.00 C ATOM 343 O GLY A 23 -12.377 1.179 3.736 1.00 0.00 O ATOM 0 H GLY A 23 -8.680 -0.489 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.941 -1.141 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.916 -0.542 5.262 1.00 0.00 H new ATOM 347 N ASP A 24 -10.343 1.940 3.407 1.00 0.00 N ATOM 348 CA ASP A 24 -10.863 3.255 2.936 1.00 0.00 C ATOM 349 C ASP A 24 -11.194 3.167 1.445 1.00 0.00 C ATOM 350 O ASP A 24 -10.537 2.476 0.692 1.00 0.00 O ATOM 351 CB ASP A 24 -9.799 4.333 3.159 1.00 0.00 C ATOM 352 CG ASP A 24 -9.693 4.643 4.653 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.674 3.705 5.433 1.00 0.00 O ATOM 354 OD2 ASP A 24 -9.632 5.814 4.991 1.00 0.00 O ATOM 0 H ASP A 24 -9.327 1.852 3.415 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.763 3.511 3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.836 3.993 2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.059 5.236 2.607 1.00 0.00 H new ATOM 359 N LEU A 25 -12.211 3.862 1.011 1.00 0.00 N ATOM 360 CA LEU A 25 -12.583 3.816 -0.431 1.00 0.00 C ATOM 361 C LEU A 25 -11.832 4.914 -1.186 1.00 0.00 C ATOM 362 O LEU A 25 -11.796 6.055 -0.769 1.00 0.00 O ATOM 363 CB LEU A 25 -14.090 4.036 -0.576 1.00 0.00 C ATOM 364 CG LEU A 25 -14.528 3.658 -1.992 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.266 2.317 -1.958 1.00 0.00 C ATOM 366 CD2 LEU A 25 -15.461 4.738 -2.542 1.00 0.00 C ATOM 0 H LEU A 25 -12.799 4.459 1.593 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.317 2.843 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.628 3.433 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.337 5.078 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.650 3.574 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.578 2.048 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.602 1.546 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.144 2.401 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.774 4.469 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.338 4.822 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.937 5.693 -2.567 1.00 0.00 H new ATOM 378 N ILE A 26 -11.232 4.581 -2.296 1.00 0.00 N ATOM 379 CA ILE A 26 -10.484 5.603 -3.077 1.00 0.00 C ATOM 380 C ILE A 26 -11.422 6.228 -4.114 1.00 0.00 C ATOM 381 O ILE A 26 -12.613 5.990 -4.109 1.00 0.00 O ATOM 382 CB ILE A 26 -9.310 4.927 -3.784 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.749 3.816 -2.892 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.213 5.955 -4.063 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.508 3.211 -3.550 1.00 0.00 C ATOM 0 H ILE A 26 -11.228 3.643 -2.696 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.109 6.382 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.655 4.502 -4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.495 4.217 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.503 3.045 -2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.378 5.468 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.609 6.747 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.868 6.384 -3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.109 2.420 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.777 2.796 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.753 3.986 -3.683 1.00 0.00 H new ATOM 397 N GLU A 27 -10.895 7.022 -5.003 1.00 0.00 N ATOM 398 CA GLU A 27 -11.758 7.659 -6.038 1.00 0.00 C ATOM 399 C GLU A 27 -10.944 7.884 -7.313 1.00 0.00 C ATOM 400 O GLU A 27 -9.892 8.492 -7.291 1.00 0.00 O ATOM 401 CB GLU A 27 -12.272 9.002 -5.518 1.00 0.00 C ATOM 402 CG GLU A 27 -11.143 9.736 -4.791 1.00 0.00 C ATOM 403 CD GLU A 27 -11.401 9.704 -3.284 1.00 0.00 C ATOM 404 OE1 GLU A 27 -12.513 10.010 -2.886 1.00 0.00 O ATOM 405 OE2 GLU A 27 -10.481 9.376 -2.553 1.00 0.00 O ATOM 0 H GLU A 27 -9.904 7.258 -5.058 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.603 7.007 -6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.639 9.608 -6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.112 8.844 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.185 9.267 -5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.082 10.767 -5.139 1.00 0.00 H new ATOM 412 N VAL A 28 -11.422 7.399 -8.427 1.00 0.00 N ATOM 413 CA VAL A 28 -10.674 7.586 -9.702 1.00 0.00 C ATOM 414 C VAL A 28 -10.192 9.035 -9.801 1.00 0.00 C ATOM 415 O VAL A 28 -10.819 9.941 -9.290 1.00 0.00 O ATOM 416 CB VAL A 28 -11.595 7.274 -10.883 1.00 0.00 C ATOM 417 CG1 VAL A 28 -12.680 8.346 -10.983 1.00 0.00 C ATOM 418 CG2 VAL A 28 -10.776 7.256 -12.176 1.00 0.00 C ATOM 0 H VAL A 28 -12.297 6.882 -8.509 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.816 6.914 -9.723 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.061 6.300 -10.732 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.336 8.123 -11.825 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.263 8.360 -10.062 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -12.216 9.321 -11.133 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.431 7.034 -13.018 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.310 8.230 -12.325 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.003 6.491 -12.106 1.00 0.00 H new ATOM 428 N GLU A 29 -9.079 9.253 -10.456 1.00 0.00 N ATOM 429 CA GLU A 29 -8.536 10.637 -10.601 1.00 0.00 C ATOM 430 C GLU A 29 -7.737 11.015 -9.349 1.00 0.00 C ATOM 431 O GLU A 29 -6.664 11.578 -9.437 1.00 0.00 O ATOM 432 CB GLU A 29 -9.685 11.631 -10.795 1.00 0.00 C ATOM 433 CG GLU A 29 -9.201 12.814 -11.638 1.00 0.00 C ATOM 434 CD GLU A 29 -10.364 13.774 -11.887 1.00 0.00 C ATOM 435 OE1 GLU A 29 -11.368 13.648 -11.204 1.00 0.00 O ATOM 436 OE2 GLU A 29 -10.233 14.619 -12.756 1.00 0.00 O ATOM 0 H GLU A 29 -8.519 8.525 -10.900 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.881 10.671 -11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.525 11.140 -11.286 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.043 11.983 -9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.391 13.333 -11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.800 12.458 -12.587 1.00 0.00 H new ATOM 443 N GLN A 30 -8.246 10.712 -8.186 1.00 0.00 N ATOM 444 CA GLN A 30 -7.509 11.057 -6.939 1.00 0.00 C ATOM 445 C GLN A 30 -6.172 10.313 -6.914 1.00 0.00 C ATOM 446 O GLN A 30 -6.023 9.266 -7.513 1.00 0.00 O ATOM 447 CB GLN A 30 -8.342 10.648 -5.722 1.00 0.00 C ATOM 448 CG GLN A 30 -7.957 11.517 -4.523 1.00 0.00 C ATOM 449 CD GLN A 30 -6.855 10.824 -3.722 1.00 0.00 C ATOM 450 OE1 GLN A 30 -5.759 11.334 -3.603 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.101 9.670 -3.161 1.00 0.00 N ATOM 0 H GLN A 30 -9.140 10.241 -8.046 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.328 12.132 -6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.404 10.761 -5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.175 9.596 -5.491 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.614 12.494 -4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.828 11.688 -3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.021 9.241 -3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.373 9.199 -2.624 1.00 0.00 H new ATOM 460 N GLY A 31 -5.198 10.845 -6.228 1.00 0.00 N ATOM 461 CA GLY A 31 -3.871 10.169 -6.168 1.00 0.00 C ATOM 462 C GLY A 31 -4.022 8.801 -5.501 1.00 0.00 C ATOM 463 O GLY A 31 -5.111 8.382 -5.159 1.00 0.00 O ATOM 0 H GLY A 31 -5.264 11.719 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.465 10.052 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.164 10.782 -5.608 1.00 0.00 H new ATOM 467 N LEU A 32 -2.938 8.099 -5.313 1.00 0.00 N ATOM 468 CA LEU A 32 -3.021 6.758 -4.668 1.00 0.00 C ATOM 469 C LEU A 32 -1.690 6.434 -3.987 1.00 0.00 C ATOM 470 O LEU A 32 -1.638 6.168 -2.803 1.00 0.00 O ATOM 471 CB LEU A 32 -3.322 5.699 -5.730 1.00 0.00 C ATOM 472 CG LEU A 32 -3.484 4.334 -5.061 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.922 4.177 -4.562 1.00 0.00 C ATOM 474 CD2 LEU A 32 -3.173 3.230 -6.074 1.00 0.00 C ATOM 0 H LEU A 32 -1.999 8.396 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.817 6.763 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.231 5.960 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.515 5.663 -6.462 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.797 4.259 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.037 3.204 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.145 4.963 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.610 4.252 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.288 2.256 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.860 3.305 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.149 3.341 -6.430 1.00 0.00 H new ATOM 486 N VAL A 33 -0.613 6.449 -4.724 1.00 0.00 N ATOM 487 CA VAL A 33 0.710 6.140 -4.113 1.00 0.00 C ATOM 488 C VAL A 33 1.743 7.167 -4.577 1.00 0.00 C ATOM 489 O VAL A 33 1.629 7.739 -5.643 1.00 0.00 O ATOM 490 CB VAL A 33 1.155 4.740 -4.543 1.00 0.00 C ATOM 491 CG1 VAL A 33 0.349 3.690 -3.777 1.00 0.00 C ATOM 492 CG2 VAL A 33 0.917 4.570 -6.045 1.00 0.00 C ATOM 0 H VAL A 33 -0.592 6.662 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 33 0.624 6.179 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 33 2.215 4.613 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.666 2.693 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.517 3.811 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.712 3.816 -3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.233 3.573 -6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.144 4.697 -6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.491 5.318 -6.591 1.00 0.00 H new ATOM 502 N VAL A 34 2.752 7.406 -3.784 1.00 0.00 N ATOM 503 CA VAL A 34 3.793 8.396 -4.180 1.00 0.00 C ATOM 504 C VAL A 34 5.157 7.705 -4.231 1.00 0.00 C ATOM 505 O VAL A 34 5.922 7.749 -3.289 1.00 0.00 O ATOM 506 CB VAL A 34 3.833 9.529 -3.153 1.00 0.00 C ATOM 507 CG1 VAL A 34 4.766 10.635 -3.649 1.00 0.00 C ATOM 508 CG2 VAL A 34 2.425 10.097 -2.966 1.00 0.00 C ATOM 0 H VAL A 34 2.900 6.959 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 34 3.555 8.804 -5.162 1.00 0.00 H new ATOM 0 HB VAL A 34 4.200 9.144 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.794 11.442 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.770 10.231 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.400 11.021 -4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.453 10.904 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.059 10.482 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.759 9.310 -2.613 1.00 0.00 H new ATOM 518 N LEU A 35 5.468 7.067 -5.327 1.00 0.00 N ATOM 519 CA LEU A 35 6.782 6.374 -5.437 1.00 0.00 C ATOM 520 C LEU A 35 7.822 7.340 -6.008 1.00 0.00 C ATOM 521 O LEU A 35 7.499 8.424 -6.451 1.00 0.00 O ATOM 522 CB LEU A 35 6.644 5.165 -6.366 1.00 0.00 C ATOM 523 CG LEU A 35 5.327 4.445 -6.074 1.00 0.00 C ATOM 524 CD1 LEU A 35 4.396 4.573 -7.281 1.00 0.00 C ATOM 525 CD2 LEU A 35 5.606 2.965 -5.802 1.00 0.00 C ATOM 0 H LEU A 35 4.869 6.996 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 35 7.101 6.040 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.671 5.488 -7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.483 4.484 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 35 4.854 4.894 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.457 4.060 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.198 5.627 -7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.869 4.124 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.668 2.450 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.079 2.517 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.270 2.872 -4.942 1.00 0.00 H new ATOM 537 N GLU A 36 9.069 6.955 -6.001 1.00 0.00 N ATOM 538 CA GLU A 36 10.128 7.852 -6.543 1.00 0.00 C ATOM 539 C GLU A 36 10.741 7.221 -7.795 1.00 0.00 C ATOM 540 O GLU A 36 10.728 6.019 -7.964 1.00 0.00 O ATOM 541 CB GLU A 36 11.219 8.051 -5.486 1.00 0.00 C ATOM 542 CG GLU A 36 12.115 9.222 -5.891 1.00 0.00 C ATOM 543 CD GLU A 36 13.373 9.225 -5.022 1.00 0.00 C ATOM 544 OE1 GLU A 36 13.295 9.704 -3.902 1.00 0.00 O ATOM 545 OE2 GLU A 36 14.395 8.750 -5.490 1.00 0.00 O ATOM 0 H GLU A 36 9.400 6.059 -5.644 1.00 0.00 H new ATOM 0 HA GLU A 36 9.690 8.816 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.767 8.245 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.813 7.143 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.387 9.139 -6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.577 10.163 -5.774 1.00 0.00 H new ATOM 552 N SER A 37 11.277 8.023 -8.673 1.00 0.00 N ATOM 553 CA SER A 37 11.890 7.468 -9.912 1.00 0.00 C ATOM 554 C SER A 37 13.415 7.512 -9.791 1.00 0.00 C ATOM 555 O SER A 37 13.955 7.904 -8.776 1.00 0.00 O ATOM 556 CB SER A 37 11.449 8.303 -11.116 1.00 0.00 C ATOM 557 OG SER A 37 10.941 7.439 -12.124 1.00 0.00 O ATOM 0 H SER A 37 11.317 9.038 -8.586 1.00 0.00 H new ATOM 0 HA SER A 37 11.567 6.436 -10.047 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.685 9.020 -10.816 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.291 8.877 -11.503 1.00 0.00 H new ATOM 0 HG SER A 37 9.961 7.452 -12.102 1.00 0.00 H new ATOM 563 N ALA A 38 14.112 7.115 -10.820 1.00 0.00 N ATOM 564 CA ALA A 38 15.601 7.135 -10.763 1.00 0.00 C ATOM 565 C ALA A 38 16.070 8.463 -10.166 1.00 0.00 C ATOM 566 O ALA A 38 17.025 8.516 -9.418 1.00 0.00 O ATOM 567 CB ALA A 38 16.169 6.982 -12.175 1.00 0.00 C ATOM 0 H ALA A 38 13.715 6.778 -11.697 1.00 0.00 H new ATOM 0 HA ALA A 38 15.951 6.312 -10.140 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.258 6.997 -12.133 1.00 0.00 H new ATOM 0 HB2 ALA A 38 15.835 6.036 -12.601 1.00 0.00 H new ATOM 0 HB3 ALA A 38 15.819 7.804 -12.799 1.00 0.00 H new ATOM 573 N LYS A 39 15.404 9.538 -10.490 1.00 0.00 N ATOM 574 CA LYS A 39 15.812 10.861 -9.941 1.00 0.00 C ATOM 575 C LYS A 39 14.629 11.830 -10.015 1.00 0.00 C ATOM 576 O LYS A 39 14.675 12.829 -10.705 1.00 0.00 O ATOM 577 CB LYS A 39 16.978 11.417 -10.761 1.00 0.00 C ATOM 578 CG LYS A 39 17.762 12.422 -9.915 1.00 0.00 C ATOM 579 CD LYS A 39 19.117 11.822 -9.532 1.00 0.00 C ATOM 580 CE LYS A 39 18.999 11.116 -8.181 1.00 0.00 C ATOM 581 NZ LYS A 39 20.012 10.026 -8.099 1.00 0.00 N ATOM 0 H LYS A 39 14.595 9.556 -11.111 1.00 0.00 H new ATOM 0 HA LYS A 39 16.122 10.743 -8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.632 10.605 -11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.604 11.899 -11.664 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.907 13.347 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.198 12.676 -9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.443 11.116 -10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.872 12.606 -9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.151 11.830 -7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.997 10.705 -8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.932 9.546 -7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.847 9.340 -8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.965 10.430 -8.196 1.00 0.00 H new ATOM 595 N ALA A 40 13.569 11.542 -9.310 1.00 0.00 N ATOM 596 CA ALA A 40 12.385 12.446 -9.340 1.00 0.00 C ATOM 597 C ALA A 40 11.273 11.857 -8.470 1.00 0.00 C ATOM 598 O ALA A 40 11.490 10.938 -7.706 1.00 0.00 O ATOM 599 CB ALA A 40 11.887 12.586 -10.780 1.00 0.00 C ATOM 0 H ALA A 40 13.472 10.720 -8.715 1.00 0.00 H new ATOM 0 HA ALA A 40 12.666 13.427 -8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.021 13.247 -10.803 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.680 13.005 -11.400 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.605 11.606 -11.165 1.00 0.00 H new ATOM 605 N SER A 41 10.082 12.380 -8.579 1.00 0.00 N ATOM 606 CA SER A 41 8.958 11.848 -7.757 1.00 0.00 C ATOM 607 C SER A 41 7.712 11.701 -8.632 1.00 0.00 C ATOM 608 O SER A 41 7.180 12.669 -9.141 1.00 0.00 O ATOM 609 CB SER A 41 8.664 12.816 -6.611 1.00 0.00 C ATOM 610 OG SER A 41 9.499 12.500 -5.504 1.00 0.00 O ATOM 0 H SER A 41 9.839 13.151 -9.201 1.00 0.00 H new ATOM 0 HA SER A 41 9.233 10.875 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.840 13.843 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.615 12.748 -6.322 1.00 0.00 H new ATOM 0 HG SER A 41 9.315 13.120 -4.768 1.00 0.00 H new ATOM 616 N MET A 42 7.240 10.498 -8.813 1.00 0.00 N ATOM 617 CA MET A 42 6.029 10.290 -9.655 1.00 0.00 C ATOM 618 C MET A 42 4.902 9.715 -8.793 1.00 0.00 C ATOM 619 O MET A 42 5.098 8.781 -8.040 1.00 0.00 O ATOM 620 CB MET A 42 6.355 9.315 -10.786 1.00 0.00 C ATOM 621 CG MET A 42 6.710 7.948 -10.196 1.00 0.00 C ATOM 622 SD MET A 42 8.334 7.432 -10.807 1.00 0.00 S ATOM 623 CE MET A 42 7.878 5.739 -11.257 1.00 0.00 C ATOM 0 H MET A 42 7.641 9.650 -8.414 1.00 0.00 H new ATOM 0 HA MET A 42 5.713 11.243 -10.079 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.502 9.222 -11.458 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.187 9.694 -11.379 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.719 8.001 -9.107 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.955 7.213 -10.473 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.748 5.224 -11.665 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.525 5.210 -10.372 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.086 5.762 -12.006 1.00 0.00 H new ATOM 633 N GLU A 43 3.723 10.265 -8.897 1.00 0.00 N ATOM 634 CA GLU A 43 2.586 9.748 -8.085 1.00 0.00 C ATOM 635 C GLU A 43 1.553 9.101 -9.008 1.00 0.00 C ATOM 636 O GLU A 43 1.535 9.340 -10.200 1.00 0.00 O ATOM 637 CB GLU A 43 1.936 10.905 -7.323 1.00 0.00 C ATOM 638 CG GLU A 43 2.960 11.530 -6.372 1.00 0.00 C ATOM 639 CD GLU A 43 2.916 13.053 -6.504 1.00 0.00 C ATOM 640 OE1 GLU A 43 3.200 13.542 -7.585 1.00 0.00 O ATOM 641 OE2 GLU A 43 2.601 13.704 -5.522 1.00 0.00 O ATOM 0 H GLU A 43 3.498 11.050 -9.509 1.00 0.00 H new ATOM 0 HA GLU A 43 2.954 9.007 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.569 11.655 -8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.074 10.545 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.744 11.237 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.960 11.163 -6.605 1.00 0.00 H new ATOM 648 N VAL A 44 0.690 8.285 -8.469 1.00 0.00 N ATOM 649 CA VAL A 44 -0.342 7.625 -9.317 1.00 0.00 C ATOM 650 C VAL A 44 -1.679 7.611 -8.568 1.00 0.00 C ATOM 651 O VAL A 44 -1.713 7.390 -7.374 1.00 0.00 O ATOM 652 CB VAL A 44 0.090 6.188 -9.616 1.00 0.00 C ATOM 653 CG1 VAL A 44 -0.714 5.648 -10.800 1.00 0.00 C ATOM 654 CG2 VAL A 44 1.580 6.167 -9.961 1.00 0.00 C ATOM 0 H VAL A 44 0.655 8.047 -7.478 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.453 8.173 -10.253 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.091 5.565 -8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.406 4.624 -11.012 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.776 5.664 -10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.534 6.271 -11.676 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.890 5.144 -10.174 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.760 6.791 -10.837 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.154 6.552 -9.118 1.00 0.00 H new ATOM 664 N PRO A 45 -2.744 7.849 -9.293 1.00 0.00 N ATOM 665 CA PRO A 45 -4.100 7.871 -8.719 1.00 0.00 C ATOM 666 C PRO A 45 -4.612 6.445 -8.507 1.00 0.00 C ATOM 667 O PRO A 45 -3.873 5.486 -8.614 1.00 0.00 O ATOM 668 CB PRO A 45 -4.929 8.592 -9.783 1.00 0.00 C ATOM 669 CG PRO A 45 -4.160 8.435 -11.115 1.00 0.00 C ATOM 670 CD PRO A 45 -2.699 8.116 -10.744 1.00 0.00 C ATOM 0 HA PRO A 45 -4.145 8.360 -7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.927 8.159 -9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.056 9.644 -9.529 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.590 7.636 -11.719 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.219 9.349 -11.707 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.327 7.253 -11.296 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.038 8.951 -10.975 1.00 0.00 H new ATOM 678 N SER A 46 -5.873 6.299 -8.211 1.00 0.00 N ATOM 679 CA SER A 46 -6.435 4.937 -7.994 1.00 0.00 C ATOM 680 C SER A 46 -6.844 4.336 -9.345 1.00 0.00 C ATOM 681 O SER A 46 -7.464 5.003 -10.150 1.00 0.00 O ATOM 682 CB SER A 46 -7.662 5.030 -7.086 1.00 0.00 C ATOM 683 OG SER A 46 -8.599 4.028 -7.460 1.00 0.00 O ATOM 0 H SER A 46 -6.539 7.065 -8.110 1.00 0.00 H new ATOM 0 HA SER A 46 -5.683 4.303 -7.524 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.369 4.900 -6.044 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.116 6.018 -7.168 1.00 0.00 H new ATOM 0 HG SER A 46 -8.946 3.588 -6.656 1.00 0.00 H new ATOM 689 N PRO A 47 -6.488 3.093 -9.556 1.00 0.00 N ATOM 690 CA PRO A 47 -6.810 2.380 -10.804 1.00 0.00 C ATOM 691 C PRO A 47 -8.264 1.912 -10.785 1.00 0.00 C ATOM 692 O PRO A 47 -8.814 1.508 -11.790 1.00 0.00 O ATOM 693 CB PRO A 47 -5.851 1.188 -10.796 1.00 0.00 C ATOM 694 CG PRO A 47 -5.450 0.963 -9.319 1.00 0.00 C ATOM 695 CD PRO A 47 -5.733 2.283 -8.578 1.00 0.00 C ATOM 0 HA PRO A 47 -6.700 2.999 -11.694 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.331 0.300 -11.208 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.974 1.391 -11.410 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.022 0.144 -8.883 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.397 0.693 -9.241 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.312 2.114 -7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.809 2.778 -8.280 1.00 0.00 H new ATOM 703 N LYS A 48 -8.888 1.968 -9.645 1.00 0.00 N ATOM 704 CA LYS A 48 -10.308 1.531 -9.545 1.00 0.00 C ATOM 705 C LYS A 48 -10.937 2.127 -8.284 1.00 0.00 C ATOM 706 O LYS A 48 -10.373 2.064 -7.208 1.00 0.00 O ATOM 707 CB LYS A 48 -10.367 0.004 -9.473 1.00 0.00 C ATOM 708 CG LYS A 48 -11.769 -0.471 -9.862 1.00 0.00 C ATOM 709 CD LYS A 48 -12.049 -1.826 -9.207 1.00 0.00 C ATOM 710 CE LYS A 48 -12.296 -2.876 -10.292 1.00 0.00 C ATOM 711 NZ LYS A 48 -11.000 -3.251 -10.925 1.00 0.00 N ATOM 0 H LYS A 48 -8.475 2.299 -8.773 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.857 1.875 -10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.625 -0.431 -10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.124 -0.333 -8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.513 0.259 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.848 -0.556 -10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.205 -2.122 -8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.917 -1.753 -8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.770 -3.757 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.980 -2.483 -11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.085 -3.179 -11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.253 -2.608 -10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.757 -4.228 -10.665 1.00 0.00 H new ATOM 725 N ALA A 49 -12.100 2.704 -8.403 1.00 0.00 N ATOM 726 CA ALA A 49 -12.762 3.301 -7.209 1.00 0.00 C ATOM 727 C ALA A 49 -13.322 2.184 -6.327 1.00 0.00 C ATOM 728 O ALA A 49 -14.482 1.832 -6.416 1.00 0.00 O ATOM 729 CB ALA A 49 -13.903 4.215 -7.661 1.00 0.00 C ATOM 0 H ALA A 49 -12.621 2.788 -9.276 1.00 0.00 H new ATOM 0 HA ALA A 49 -12.035 3.882 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.387 4.652 -6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.504 5.011 -8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -14.631 3.635 -8.227 1.00 0.00 H new ATOM 735 N GLY A 50 -12.508 1.622 -5.474 1.00 0.00 N ATOM 736 CA GLY A 50 -12.998 0.528 -4.588 1.00 0.00 C ATOM 737 C GLY A 50 -12.498 0.764 -3.162 1.00 0.00 C ATOM 738 O GLY A 50 -12.403 1.885 -2.705 1.00 0.00 O ATOM 0 H GLY A 50 -11.527 1.873 -5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.087 0.495 -4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.645 -0.436 -4.954 1.00 0.00 H new ATOM 742 N VAL A 51 -12.178 -0.285 -2.455 1.00 0.00 N ATOM 743 CA VAL A 51 -11.685 -0.118 -1.059 1.00 0.00 C ATOM 744 C VAL A 51 -10.264 -0.675 -0.949 1.00 0.00 C ATOM 745 O VAL A 51 -9.848 -1.502 -1.737 1.00 0.00 O ATOM 746 CB VAL A 51 -12.605 -0.876 -0.099 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.482 -2.380 -0.352 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.197 -0.568 1.345 1.00 0.00 C ATOM 0 H VAL A 51 -12.237 -1.249 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.681 0.941 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.637 -0.564 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.138 -2.919 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.770 -2.601 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.451 -2.693 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.851 -1.107 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.165 -0.881 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.284 0.503 1.527 1.00 0.00 H new ATOM 758 N VAL A 52 -9.515 -0.228 0.021 1.00 0.00 N ATOM 759 CA VAL A 52 -8.121 -0.732 0.178 1.00 0.00 C ATOM 760 C VAL A 52 -8.137 -2.034 0.981 1.00 0.00 C ATOM 761 O VAL A 52 -8.829 -2.155 1.973 1.00 0.00 O ATOM 762 CB VAL A 52 -7.281 0.311 0.915 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.815 -0.124 0.924 1.00 0.00 C ATOM 764 CG2 VAL A 52 -7.407 1.660 0.203 1.00 0.00 C ATOM 0 H VAL A 52 -9.807 0.464 0.711 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.689 -0.917 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.637 0.404 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.218 0.621 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.724 -1.085 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.457 -0.218 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.809 2.405 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.051 1.565 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.451 1.972 0.197 1.00 0.00 H new ATOM 774 N LYS A 53 -7.378 -3.010 0.561 1.00 0.00 N ATOM 775 CA LYS A 53 -7.350 -4.304 1.300 1.00 0.00 C ATOM 776 C LYS A 53 -6.268 -4.250 2.380 1.00 0.00 C ATOM 777 O LYS A 53 -6.543 -4.374 3.556 1.00 0.00 O ATOM 778 CB LYS A 53 -7.042 -5.442 0.324 1.00 0.00 C ATOM 779 CG LYS A 53 -7.816 -6.694 0.739 1.00 0.00 C ATOM 780 CD LYS A 53 -6.845 -7.864 0.905 1.00 0.00 C ATOM 781 CE LYS A 53 -7.598 -9.083 1.440 1.00 0.00 C ATOM 782 NZ LYS A 53 -7.094 -10.313 0.767 1.00 0.00 N ATOM 0 H LYS A 53 -6.776 -2.967 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.320 -4.478 1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.318 -5.151 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.972 -5.649 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.347 -6.513 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.568 -6.935 -0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.380 -8.102 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.043 -7.590 1.590 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.461 -9.164 2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.667 -8.970 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.606 -11.142 1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.246 -10.235 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.078 -10.422 0.959 1.00 0.00 H new ATOM 796 N SER A 54 -5.035 -4.065 1.990 1.00 0.00 N ATOM 797 CA SER A 54 -3.937 -4.002 2.994 1.00 0.00 C ATOM 798 C SER A 54 -2.621 -3.665 2.291 1.00 0.00 C ATOM 799 O SER A 54 -2.467 -3.881 1.105 1.00 0.00 O ATOM 800 CB SER A 54 -3.809 -5.356 3.695 1.00 0.00 C ATOM 801 OG SER A 54 -4.763 -5.431 4.747 1.00 0.00 O ATOM 0 H SER A 54 -4.742 -3.955 1.019 1.00 0.00 H new ATOM 0 HA SER A 54 -4.162 -3.231 3.731 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.972 -6.165 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.802 -5.479 4.092 1.00 0.00 H new ATOM 0 HG SER A 54 -5.661 -5.530 4.368 1.00 0.00 H new ATOM 807 N VAL A 55 -1.670 -3.138 3.013 1.00 0.00 N ATOM 808 CA VAL A 55 -0.364 -2.788 2.385 1.00 0.00 C ATOM 809 C VAL A 55 0.557 -4.009 2.410 1.00 0.00 C ATOM 810 O VAL A 55 0.863 -4.546 3.458 1.00 0.00 O ATOM 811 CB VAL A 55 0.286 -1.642 3.164 1.00 0.00 C ATOM 812 CG1 VAL A 55 1.389 -1.009 2.315 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.772 -0.586 3.492 1.00 0.00 C ATOM 0 H VAL A 55 -1.741 -2.935 4.010 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.528 -2.478 1.353 1.00 0.00 H new ATOM 0 HB VAL A 55 0.715 -2.028 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.852 -0.193 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.142 -1.760 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.960 -0.622 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.311 0.231 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.200 -0.200 2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.560 -1.036 4.096 1.00 0.00 H new ATOM 823 N SER A 56 1.004 -4.452 1.267 1.00 0.00 N ATOM 824 CA SER A 56 1.905 -5.638 1.228 1.00 0.00 C ATOM 825 C SER A 56 3.337 -5.205 1.552 1.00 0.00 C ATOM 826 O SER A 56 4.263 -5.987 1.477 1.00 0.00 O ATOM 827 CB SER A 56 1.864 -6.262 -0.168 1.00 0.00 C ATOM 828 OG SER A 56 0.554 -6.132 -0.702 1.00 0.00 O ATOM 0 H SER A 56 0.784 -4.044 0.358 1.00 0.00 H new ATOM 0 HA SER A 56 1.573 -6.370 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.585 -5.770 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.146 -7.314 -0.117 1.00 0.00 H new ATOM 0 HG SER A 56 0.525 -6.529 -1.597 1.00 0.00 H new ATOM 834 N VAL A 57 3.526 -3.965 1.913 1.00 0.00 N ATOM 835 CA VAL A 57 4.899 -3.487 2.240 1.00 0.00 C ATOM 836 C VAL A 57 4.816 -2.368 3.281 1.00 0.00 C ATOM 837 O VAL A 57 3.764 -2.086 3.820 1.00 0.00 O ATOM 838 CB VAL A 57 5.570 -2.955 0.973 1.00 0.00 C ATOM 839 CG1 VAL A 57 5.705 -4.086 -0.049 1.00 0.00 C ATOM 840 CG2 VAL A 57 4.717 -1.832 0.379 1.00 0.00 C ATOM 0 H VAL A 57 2.790 -3.263 1.995 1.00 0.00 H new ATOM 0 HA VAL A 57 5.485 -4.314 2.641 1.00 0.00 H new ATOM 0 HB VAL A 57 6.559 -2.570 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.183 -3.706 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.312 -4.887 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.716 -4.472 -0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.194 -1.452 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.728 -2.218 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.621 -1.025 1.106 1.00 0.00 H new ATOM 850 N LYS A 58 5.916 -1.729 3.567 1.00 0.00 N ATOM 851 CA LYS A 58 5.901 -0.629 4.572 1.00 0.00 C ATOM 852 C LYS A 58 6.216 0.699 3.879 1.00 0.00 C ATOM 853 O LYS A 58 6.878 0.737 2.861 1.00 0.00 O ATOM 854 CB LYS A 58 6.953 -0.905 5.647 1.00 0.00 C ATOM 855 CG LYS A 58 6.272 -1.011 7.013 1.00 0.00 C ATOM 856 CD LYS A 58 7.132 -1.864 7.947 1.00 0.00 C ATOM 857 CE LYS A 58 8.348 -1.057 8.403 1.00 0.00 C ATOM 858 NZ LYS A 58 9.489 -1.980 8.662 1.00 0.00 N ATOM 0 H LYS A 58 6.826 -1.921 3.148 1.00 0.00 H new ATOM 0 HA LYS A 58 4.916 -0.573 5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.485 -1.829 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.694 -0.106 5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.130 -0.018 7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.283 -1.456 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.547 -2.178 8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.455 -2.770 7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.622 -0.329 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.108 -0.496 9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.316 -1.431 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.225 -2.658 9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.723 -2.496 7.790 1.00 0.00 H new ATOM 872 N LEU A 59 5.746 1.788 4.423 1.00 0.00 N ATOM 873 CA LEU A 59 6.020 3.112 3.795 1.00 0.00 C ATOM 874 C LEU A 59 7.518 3.412 3.871 1.00 0.00 C ATOM 875 O LEU A 59 8.203 2.980 4.777 1.00 0.00 O ATOM 876 CB LEU A 59 5.242 4.200 4.539 1.00 0.00 C ATOM 877 CG LEU A 59 5.669 4.218 6.007 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.078 5.638 6.403 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.498 3.764 6.882 1.00 0.00 C ATOM 0 H LEU A 59 5.185 1.819 5.274 1.00 0.00 H new ATOM 0 HA LEU A 59 5.707 3.091 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.429 5.172 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.171 4.013 4.463 1.00 0.00 H new ATOM 0 HG LEU A 59 6.514 3.544 6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.382 5.650 7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.910 5.964 5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.233 6.312 6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.800 3.776 7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.654 4.439 6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.204 2.753 6.601 1.00 0.00 H new ATOM 891 N GLY A 60 8.033 4.151 2.927 1.00 0.00 N ATOM 892 CA GLY A 60 9.487 4.478 2.946 1.00 0.00 C ATOM 893 C GLY A 60 10.301 3.216 2.658 1.00 0.00 C ATOM 894 O GLY A 60 11.509 3.203 2.783 1.00 0.00 O ATOM 0 H GLY A 60 7.510 4.542 2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.708 5.243 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.765 4.888 3.917 1.00 0.00 H new ATOM 898 N ASP A 61 9.649 2.153 2.273 1.00 0.00 N ATOM 899 CA ASP A 61 10.386 0.893 1.977 1.00 0.00 C ATOM 900 C ASP A 61 10.893 0.925 0.533 1.00 0.00 C ATOM 901 O ASP A 61 10.340 1.599 -0.314 1.00 0.00 O ATOM 902 CB ASP A 61 9.449 -0.303 2.162 1.00 0.00 C ATOM 903 CG ASP A 61 9.299 -0.607 3.654 1.00 0.00 C ATOM 904 OD1 ASP A 61 9.382 0.322 4.440 1.00 0.00 O ATOM 905 OD2 ASP A 61 9.104 -1.765 3.984 1.00 0.00 O ATOM 0 H ASP A 61 8.638 2.103 2.151 1.00 0.00 H new ATOM 0 HA ASP A 61 11.232 0.800 2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.475 -0.086 1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.846 -1.174 1.641 1.00 0.00 H new ATOM 910 N LYS A 62 11.939 0.200 0.245 1.00 0.00 N ATOM 911 CA LYS A 62 12.479 0.190 -1.143 1.00 0.00 C ATOM 912 C LYS A 62 12.035 -1.092 -1.853 1.00 0.00 C ATOM 913 O LYS A 62 12.292 -2.188 -1.394 1.00 0.00 O ATOM 914 CB LYS A 62 14.007 0.243 -1.098 1.00 0.00 C ATOM 915 CG LYS A 62 14.452 1.378 -0.172 1.00 0.00 C ATOM 916 CD LYS A 62 15.652 0.920 0.659 1.00 0.00 C ATOM 917 CE LYS A 62 15.650 1.647 2.004 1.00 0.00 C ATOM 918 NZ LYS A 62 16.697 1.061 2.887 1.00 0.00 N ATOM 0 H LYS A 62 12.443 -0.386 0.911 1.00 0.00 H new ATOM 0 HA LYS A 62 12.102 1.057 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.404 -0.708 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.406 0.400 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.717 2.257 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.632 1.669 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.608 -0.158 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.579 1.127 0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.838 2.710 1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.671 1.560 2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.696 1.555 3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.498 0.052 3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.629 1.167 2.438 1.00 0.00 H new ATOM 932 N LEU A 63 11.370 -0.963 -2.969 1.00 0.00 N ATOM 933 CA LEU A 63 10.911 -2.175 -3.705 1.00 0.00 C ATOM 934 C LEU A 63 11.466 -2.146 -5.131 1.00 0.00 C ATOM 935 O LEU A 63 11.728 -1.097 -5.684 1.00 0.00 O ATOM 936 CB LEU A 63 9.382 -2.193 -3.752 1.00 0.00 C ATOM 937 CG LEU A 63 8.830 -2.403 -2.342 1.00 0.00 C ATOM 938 CD1 LEU A 63 7.300 -2.399 -2.385 1.00 0.00 C ATOM 939 CD2 LEU A 63 9.319 -3.747 -1.799 1.00 0.00 C ATOM 0 H LEU A 63 11.125 -0.072 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 63 11.269 -3.069 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.009 -1.255 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.037 -2.990 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 63 9.177 -1.599 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.907 -2.549 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.949 -1.443 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.952 -3.203 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.926 -3.898 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.971 -4.550 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.409 -3.752 -1.767 1.00 0.00 H new ATOM 951 N LYS A 64 11.648 -3.291 -5.729 1.00 0.00 N ATOM 952 CA LYS A 64 12.185 -3.328 -7.119 1.00 0.00 C ATOM 953 C LYS A 64 11.024 -3.383 -8.114 1.00 0.00 C ATOM 954 O LYS A 64 9.987 -3.954 -7.841 1.00 0.00 O ATOM 955 CB LYS A 64 13.063 -4.569 -7.292 1.00 0.00 C ATOM 956 CG LYS A 64 14.273 -4.222 -8.163 1.00 0.00 C ATOM 957 CD LYS A 64 15.478 -5.054 -7.719 1.00 0.00 C ATOM 958 CE LYS A 64 15.161 -6.541 -7.886 1.00 0.00 C ATOM 959 NZ LYS A 64 16.426 -7.295 -8.109 1.00 0.00 N ATOM 0 H LYS A 64 11.448 -4.202 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 64 12.779 -2.433 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.394 -4.932 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.488 -5.372 -7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.048 -4.419 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.501 -3.159 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.354 -4.789 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.719 -4.837 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.652 -6.917 -6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.484 -6.687 -8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.212 -8.306 -8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.894 -6.941 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.057 -7.164 -7.292 1.00 0.00 H new ATOM 973 N GLU A 65 11.191 -2.792 -9.266 1.00 0.00 N ATOM 974 CA GLU A 65 10.099 -2.806 -10.278 1.00 0.00 C ATOM 975 C GLU A 65 9.478 -4.203 -10.344 1.00 0.00 C ATOM 976 O GLU A 65 10.168 -5.202 -10.287 1.00 0.00 O ATOM 977 CB GLU A 65 10.670 -2.437 -11.649 1.00 0.00 C ATOM 978 CG GLU A 65 11.583 -3.561 -12.143 1.00 0.00 C ATOM 979 CD GLU A 65 12.643 -2.982 -13.081 1.00 0.00 C ATOM 980 OE1 GLU A 65 12.556 -1.804 -13.387 1.00 0.00 O ATOM 981 OE2 GLU A 65 13.526 -3.726 -13.478 1.00 0.00 O ATOM 0 H GLU A 65 12.038 -2.300 -9.549 1.00 0.00 H new ATOM 0 HA GLU A 65 9.334 -2.083 -9.995 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.860 -2.274 -12.360 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.229 -1.503 -11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.061 -4.054 -11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.996 -4.318 -12.663 1.00 0.00 H new ATOM 988 N GLY A 66 8.181 -4.282 -10.462 1.00 0.00 N ATOM 989 CA GLY A 66 7.519 -5.615 -10.531 1.00 0.00 C ATOM 990 C GLY A 66 7.126 -6.067 -9.122 1.00 0.00 C ATOM 991 O GLY A 66 6.494 -7.089 -8.944 1.00 0.00 O ATOM 0 H GLY A 66 7.551 -3.481 -10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.635 -5.561 -11.166 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.192 -6.344 -10.983 1.00 0.00 H new ATOM 995 N ASP A 67 7.492 -5.313 -8.122 1.00 0.00 N ATOM 996 CA ASP A 67 7.136 -5.704 -6.728 1.00 0.00 C ATOM 997 C ASP A 67 5.718 -5.223 -6.410 1.00 0.00 C ATOM 998 O ASP A 67 5.301 -4.165 -6.836 1.00 0.00 O ATOM 999 CB ASP A 67 8.123 -5.061 -5.751 1.00 0.00 C ATOM 1000 CG ASP A 67 9.405 -5.893 -5.698 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.927 -6.208 -6.755 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.844 -6.201 -4.602 1.00 0.00 O ATOM 0 H ASP A 67 8.021 -4.445 -8.209 1.00 0.00 H new ATOM 0 HA ASP A 67 7.182 -6.789 -6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.351 -4.043 -6.065 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.678 -4.996 -4.758 1.00 0.00 H new ATOM 1007 N ALA A 68 4.974 -5.995 -5.664 1.00 0.00 N ATOM 1008 CA ALA A 68 3.584 -5.583 -5.321 1.00 0.00 C ATOM 1009 C ALA A 68 3.626 -4.481 -4.260 1.00 0.00 C ATOM 1010 O ALA A 68 4.592 -4.337 -3.537 1.00 0.00 O ATOM 1011 CB ALA A 68 2.816 -6.787 -4.775 1.00 0.00 C ATOM 0 H ALA A 68 5.269 -6.892 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 68 3.085 -5.208 -6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.799 -6.486 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.786 -7.572 -5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.315 -7.162 -3.881 1.00 0.00 H new ATOM 1017 N ILE A 69 2.583 -3.701 -4.159 1.00 0.00 N ATOM 1018 CA ILE A 69 2.563 -2.610 -3.145 1.00 0.00 C ATOM 1019 C ILE A 69 1.250 -2.666 -2.362 1.00 0.00 C ATOM 1020 O ILE A 69 1.240 -2.681 -1.147 1.00 0.00 O ATOM 1021 CB ILE A 69 2.679 -1.257 -3.849 1.00 0.00 C ATOM 1022 CG1 ILE A 69 4.037 -1.162 -4.549 1.00 0.00 C ATOM 1023 CG2 ILE A 69 2.558 -0.134 -2.818 1.00 0.00 C ATOM 1024 CD1 ILE A 69 3.848 -1.340 -6.056 1.00 0.00 C ATOM 0 H ILE A 69 1.745 -3.773 -4.735 1.00 0.00 H new ATOM 0 HA ILE A 69 3.401 -2.736 -2.459 1.00 0.00 H new ATOM 0 HB ILE A 69 1.882 -1.161 -4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.498 -0.197 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.711 -1.927 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.641 0.830 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.592 -0.202 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.355 -0.229 -2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.815 -1.272 -6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.405 -2.316 -6.254 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.189 -0.559 -6.435 1.00 0.00 H new ATOM 1036 N ILE A 70 0.140 -2.697 -3.049 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.170 -2.751 -2.343 1.00 0.00 C ATOM 1038 C ILE A 70 -2.168 -3.554 -3.180 1.00 0.00 C ATOM 1039 O ILE A 70 -1.846 -4.041 -4.247 1.00 0.00 O ATOM 1040 CB ILE A 70 -1.701 -1.331 -2.142 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -1.349 -0.478 -3.364 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.063 -0.719 -0.894 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -2.160 0.819 -3.332 1.00 0.00 C ATOM 0 H ILE A 70 0.085 -2.687 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.039 -3.231 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.784 -1.362 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.283 -0.253 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.562 -1.030 -4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.442 0.293 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.312 -1.326 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.020 -0.687 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.910 1.426 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.224 0.583 -3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.925 1.373 -2.423 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.376 -3.696 -2.709 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.390 -4.468 -3.480 1.00 0.00 C ATOM 1057 C GLU A 71 -5.785 -3.913 -3.187 1.00 0.00 C ATOM 1058 O GLU A 71 -6.174 -3.753 -2.047 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.331 -5.940 -3.069 1.00 0.00 C ATOM 1060 CG GLU A 71 -4.980 -6.799 -4.156 1.00 0.00 C ATOM 1061 CD GLU A 71 -4.831 -8.278 -3.796 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -5.237 -8.645 -2.705 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -4.314 -9.019 -4.615 1.00 0.00 O ATOM 0 H GLU A 71 -3.705 -3.311 -1.824 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.180 -4.379 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.296 -6.246 -2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.847 -6.085 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.035 -6.543 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.511 -6.600 -5.120 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.543 -3.618 -4.208 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.913 -3.075 -3.988 1.00 0.00 C ATOM 1072 C LEU A 72 -8.930 -4.216 -4.051 1.00 0.00 C ATOM 1073 O LEU A 72 -8.778 -5.153 -4.810 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.231 -2.044 -5.074 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.722 -1.704 -5.038 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.899 -0.186 -4.987 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.399 -2.253 -6.296 1.00 0.00 C ATOM 0 H LEU A 72 -6.272 -3.730 -5.185 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.964 -2.599 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.638 -1.143 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.961 -2.438 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.175 -2.152 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.962 0.056 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.416 0.207 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.446 0.263 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.462 -2.012 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.945 -1.804 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.273 -3.335 -6.334 1.00 0.00 H new ATOM 1089 N GLU A 73 -9.966 -4.144 -3.261 1.00 0.00 N ATOM 1090 CA GLU A 73 -10.992 -5.224 -3.276 1.00 0.00 C ATOM 1091 C GLU A 73 -12.305 -4.671 -3.840 1.00 0.00 C ATOM 1092 O GLU A 73 -13.105 -4.119 -3.112 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.222 -5.729 -1.850 1.00 0.00 C ATOM 1094 CG GLU A 73 -11.692 -7.184 -1.891 1.00 0.00 C ATOM 1095 CD GLU A 73 -10.607 -8.088 -1.303 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -9.512 -8.092 -1.841 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -10.890 -8.761 -0.326 1.00 0.00 O ATOM 0 H GLU A 73 -10.146 -3.383 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.645 -6.047 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.301 -5.650 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.966 -5.110 -1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.618 -7.294 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.908 -7.479 -2.918 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.483 -4.833 -5.126 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.688 -4.358 -5.827 1.00 0.00 C ATOM 1106 C PRO A 74 -14.861 -5.312 -5.582 1.00 0.00 C ATOM 1107 O PRO A 74 -14.788 -6.202 -4.759 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.273 -4.369 -7.302 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.093 -5.363 -7.416 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.500 -5.507 -6.002 1.00 0.00 C ATOM 0 HA PRO A 74 -14.021 -3.376 -5.490 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.104 -4.678 -7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.975 -3.373 -7.629 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.434 -6.327 -7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.342 -4.995 -8.115 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.374 -6.554 -5.728 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.518 -5.039 -5.932 1.00 0.00 H new ATOM 1118 N ALA A 75 -15.941 -5.131 -6.291 1.00 0.00 N ATOM 1119 CA ALA A 75 -17.119 -6.025 -6.100 1.00 0.00 C ATOM 1120 C ALA A 75 -16.646 -7.477 -6.000 1.00 0.00 C ATOM 1121 O ALA A 75 -16.416 -8.135 -6.996 1.00 0.00 O ATOM 1122 CB ALA A 75 -18.068 -5.879 -7.290 1.00 0.00 C ATOM 0 H ALA A 75 -16.059 -4.402 -6.995 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.640 -5.748 -5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.929 -6.532 -7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.405 -4.845 -7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.547 -6.156 -8.207 1.00 0.00 H new ATOM 1128 N ALA A 76 -16.500 -7.982 -4.806 1.00 0.00 N ATOM 1129 CA ALA A 76 -16.043 -9.391 -4.645 1.00 0.00 C ATOM 1130 C ALA A 76 -17.234 -10.337 -4.820 1.00 0.00 C ATOM 1131 O ALA A 76 -17.073 -11.529 -4.983 1.00 0.00 O ATOM 1132 CB ALA A 76 -15.445 -9.578 -3.249 1.00 0.00 C ATOM 0 H ALA A 76 -16.677 -7.480 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 76 -15.287 -9.615 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.111 -10.609 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.597 -8.905 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -16.201 -9.354 -2.496 1.00 0.00 H new ATOM 1138 N GLY A 77 -18.428 -9.813 -4.786 1.00 0.00 N ATOM 1139 CA GLY A 77 -19.628 -10.681 -4.951 1.00 0.00 C ATOM 1140 C GLY A 77 -20.855 -9.812 -5.231 1.00 0.00 C ATOM 1141 O GLY A 77 -21.314 -9.712 -6.351 1.00 0.00 O ATOM 0 H GLY A 77 -18.625 -8.821 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.472 -11.383 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -19.787 -11.274 -4.050 1.00 0.00 H new ATOM 1145 N ALA A 78 -21.392 -9.183 -4.221 1.00 0.00 N ATOM 1146 CA ALA A 78 -22.588 -8.321 -4.431 1.00 0.00 C ATOM 1147 C ALA A 78 -22.745 -7.367 -3.246 1.00 0.00 C ATOM 1148 O ALA A 78 -23.327 -7.707 -2.235 1.00 0.00 O ATOM 1149 CB ALA A 78 -23.836 -9.201 -4.546 1.00 0.00 C ATOM 0 H ALA A 78 -21.054 -9.229 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 78 -22.463 -7.744 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -24.712 -8.571 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -23.725 -9.881 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -23.960 -9.778 -3.630 1.00 0.00 H new ATOM 1155 N ARG A 79 -22.231 -6.172 -3.362 1.00 0.00 N ATOM 1156 CA ARG A 79 -22.352 -5.198 -2.241 1.00 0.00 C ATOM 1157 C ARG A 79 -22.832 -3.851 -2.787 1.00 0.00 C ATOM 1158 O ARG A 79 -23.081 -3.772 -3.978 1.00 0.00 O ATOM 1159 CB ARG A 79 -20.989 -5.020 -1.571 1.00 0.00 C ATOM 1160 CG ARG A 79 -20.977 -5.760 -0.233 1.00 0.00 C ATOM 1161 CD ARG A 79 -19.653 -6.511 -0.075 1.00 0.00 C ATOM 1162 NE ARG A 79 -19.893 -7.976 -0.209 1.00 0.00 N ATOM 1163 CZ ARG A 79 -18.947 -8.822 0.087 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -17.841 -8.833 -0.605 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -19.105 -9.658 1.077 1.00 0.00 N ATOM 0 H ARG A 79 -21.733 -5.829 -4.184 1.00 0.00 H new ATOM 0 HA ARG A 79 -23.070 -5.571 -1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -20.201 -5.405 -2.218 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -20.784 -3.961 -1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -21.106 -5.053 0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -21.812 -6.459 -0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.941 -6.178 -0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -19.212 -6.291 0.897 1.00 0.00 H new ATOM 0 HE ARG A 79 -20.798 -8.317 -0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -17.717 -8.179 -1.378 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -17.101 -9.495 -0.373 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -19.969 -9.649 1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -18.364 -10.320 1.309 1.00 0.00 H new TER 1179 ARG A 79