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 Set 1.1: A 37 SER OG : rot 113:sc= 0.311 USER MOD Set 1.2: A 42 MET CE :methyl -102:sc= -0.029 (180deg=-1.93!) USER MOD Single : A 1 SER N :NH3+ -107:sc= 0.0802 (180deg=0) USER MOD Single : A 1 SER OG : rot -128:sc= -2.73! 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= -0.446 X(o=-0.45,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= -0.128 (180deg=-0.335) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 157:sc= -0.0281! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -51:sc= 0.647 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 -10.297 -10.082 -6.927 1.00 0.00 N ATOM 2 CA SER A 1 -9.464 -8.851 -7.031 1.00 0.00 C ATOM 3 C SER A 1 -8.154 -9.181 -7.750 1.00 0.00 C ATOM 4 O SER A 1 -7.773 -10.330 -7.870 1.00 0.00 O ATOM 5 CB SER A 1 -9.157 -8.322 -5.630 1.00 0.00 C ATOM 6 OG SER A 1 -8.023 -9.003 -5.110 1.00 0.00 O ATOM 0 H1 SER A 1 -11.096 -10.018 -7.590 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.718 -10.914 -7.161 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.659 -10.175 -5.957 1.00 0.00 H new ATOM 0 HA SER A 1 -10.007 -8.092 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.966 -7.249 -5.667 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.016 -8.470 -4.976 1.00 0.00 H new ATOM 0 HG SER A 1 -8.235 -9.362 -4.223 1.00 0.00 H new ATOM 14 N GLU A 2 -7.461 -8.185 -8.228 1.00 0.00 N ATOM 15 CA GLU A 2 -6.177 -8.443 -8.937 1.00 0.00 C ATOM 16 C GLU A 2 -5.074 -7.574 -8.328 1.00 0.00 C ATOM 17 O GLU A 2 -5.253 -6.393 -8.105 1.00 0.00 O ATOM 18 CB GLU A 2 -6.335 -8.099 -10.421 1.00 0.00 C ATOM 19 CG GLU A 2 -7.220 -9.148 -11.096 1.00 0.00 C ATOM 20 CD GLU A 2 -6.981 -9.122 -12.607 1.00 0.00 C ATOM 21 OE1 GLU A 2 -6.715 -8.051 -13.127 1.00 0.00 O ATOM 22 OE2 GLU A 2 -7.069 -10.174 -13.219 1.00 0.00 O ATOM 0 H GLU A 2 -7.729 -7.203 -8.158 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.910 -9.495 -8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.778 -7.109 -10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.358 -8.067 -10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.996 -10.138 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.269 -8.948 -10.880 1.00 0.00 H new ATOM 29 N ILE A 3 -3.935 -8.150 -8.054 1.00 0.00 N ATOM 30 CA ILE A 3 -2.824 -7.356 -7.457 1.00 0.00 C ATOM 31 C ILE A 3 -2.117 -6.563 -8.557 1.00 0.00 C ATOM 32 O ILE A 3 -1.910 -7.048 -9.652 1.00 0.00 O ATOM 33 CB ILE A 3 -1.825 -8.300 -6.786 1.00 0.00 C ATOM 34 CG1 ILE A 3 -0.805 -7.481 -5.992 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.099 -9.119 -7.855 1.00 0.00 C ATOM 36 CD1 ILE A 3 -1.299 -7.306 -4.555 1.00 0.00 C ATOM 0 H ILE A 3 -3.726 -9.135 -8.218 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.227 -6.668 -6.714 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.356 -8.972 -6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.163 -7.983 -5.997 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.661 -6.507 -6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.387 -9.792 -7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.825 -9.702 -8.422 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.567 -8.447 -8.529 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.573 -6.723 -3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.257 -6.786 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.420 -8.284 -4.090 1.00 0.00 H new ATOM 48 N ILE A 4 -1.743 -5.343 -8.276 1.00 0.00 N ATOM 49 CA ILE A 4 -1.049 -4.519 -9.306 1.00 0.00 C ATOM 50 C ILE A 4 0.454 -4.503 -9.019 1.00 0.00 C ATOM 51 O ILE A 4 0.877 -4.461 -7.881 1.00 0.00 O ATOM 52 CB ILE A 4 -1.592 -3.090 -9.265 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.094 -3.107 -9.557 1.00 0.00 C ATOM 54 CG2 ILE A 4 -0.878 -2.243 -10.319 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.858 -3.476 -8.284 1.00 0.00 C ATOM 0 H ILE A 4 -1.888 -4.882 -7.378 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.225 -4.946 -10.293 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.418 -2.663 -8.277 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.416 -2.130 -9.917 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.313 -3.826 -10.347 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.265 -1.224 -10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.192 -2.231 -10.112 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.052 -2.669 -11.307 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.928 -3.488 -8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.543 -4.463 -7.944 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.648 -2.741 -7.507 1.00 0.00 H new ATOM 67 N ARG A 5 1.262 -4.536 -10.042 1.00 0.00 N ATOM 68 CA ARG A 5 2.736 -4.521 -9.827 1.00 0.00 C ATOM 69 C ARG A 5 3.319 -3.219 -10.380 1.00 0.00 C ATOM 70 O ARG A 5 2.610 -2.384 -10.905 1.00 0.00 O ATOM 71 CB ARG A 5 3.370 -5.712 -10.551 1.00 0.00 C ATOM 72 CG ARG A 5 3.031 -5.641 -12.041 1.00 0.00 C ATOM 73 CD ARG A 5 2.398 -6.961 -12.485 1.00 0.00 C ATOM 74 NE ARG A 5 1.059 -7.108 -11.849 1.00 0.00 N ATOM 75 CZ ARG A 5 -0.020 -7.055 -12.581 1.00 0.00 C ATOM 76 NH1 ARG A 5 -0.497 -5.899 -12.957 1.00 0.00 N ATOM 77 NH2 ARG A 5 -0.623 -8.156 -12.936 1.00 0.00 N ATOM 0 H ARG A 5 0.966 -4.573 -11.017 1.00 0.00 H new ATOM 0 HA ARG A 5 2.948 -4.590 -8.760 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.451 -5.702 -10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.002 -6.647 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.345 -4.815 -12.230 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.933 -5.445 -12.621 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.301 -6.983 -13.570 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.039 -7.797 -12.205 1.00 0.00 H new ATOM 0 HE ARG A 5 0.986 -7.250 -10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.026 -5.038 -12.679 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.340 -5.857 -13.529 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.251 -9.059 -12.641 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.466 -8.114 -13.508 1.00 0.00 H new ATOM 91 N VAL A 6 4.607 -3.040 -10.268 1.00 0.00 N ATOM 92 CA VAL A 6 5.233 -1.792 -10.787 1.00 0.00 C ATOM 93 C VAL A 6 4.999 -1.699 -12.300 1.00 0.00 C ATOM 94 O VAL A 6 5.178 -2.670 -13.010 1.00 0.00 O ATOM 95 CB VAL A 6 6.738 -1.827 -10.502 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.436 -0.704 -11.272 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.974 -1.638 -9.003 1.00 0.00 C ATOM 0 H VAL A 6 5.252 -3.704 -9.840 1.00 0.00 H new ATOM 0 HA VAL A 6 4.789 -0.925 -10.297 1.00 0.00 H new ATOM 0 HB VAL A 6 7.144 -2.788 -10.820 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.506 -0.732 -11.066 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.268 -0.837 -12.341 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.032 0.258 -10.958 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.044 -1.662 -8.797 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.566 -0.677 -8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.480 -2.439 -8.453 1.00 0.00 H new ATOM 107 N PRO A 7 4.604 -0.534 -12.753 1.00 0.00 N ATOM 108 CA PRO A 7 4.338 -0.290 -14.181 1.00 0.00 C ATOM 109 C PRO A 7 5.651 -0.101 -14.946 1.00 0.00 C ATOM 110 O PRO A 7 6.723 -0.333 -14.423 1.00 0.00 O ATOM 111 CB PRO A 7 3.517 1.003 -14.177 1.00 0.00 C ATOM 112 CG PRO A 7 3.837 1.719 -12.844 1.00 0.00 C ATOM 113 CD PRO A 7 4.386 0.644 -11.887 1.00 0.00 C ATOM 0 HA PRO A 7 3.821 -1.117 -14.668 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.778 1.632 -15.028 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.452 0.787 -14.256 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.569 2.512 -12.996 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.943 2.186 -12.431 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.313 0.968 -11.414 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.679 0.425 -11.087 1.00 0.00 H new ATOM 121 N ASP A 8 5.575 0.319 -16.178 1.00 0.00 N ATOM 122 CA ASP A 8 6.817 0.523 -16.975 1.00 0.00 C ATOM 123 C ASP A 8 7.451 1.862 -16.597 1.00 0.00 C ATOM 124 O ASP A 8 7.017 2.910 -17.032 1.00 0.00 O ATOM 125 CB ASP A 8 6.473 0.525 -18.466 1.00 0.00 C ATOM 126 CG ASP A 8 7.745 0.750 -19.284 1.00 0.00 C ATOM 127 OD1 ASP A 8 8.790 0.928 -18.680 1.00 0.00 O ATOM 128 OD2 ASP A 8 7.653 0.740 -20.501 1.00 0.00 O ATOM 0 H ASP A 8 4.706 0.530 -16.668 1.00 0.00 H new ATOM 0 HA ASP A 8 7.519 -0.284 -16.765 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.012 -0.423 -18.745 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.746 1.309 -18.681 1.00 0.00 H new ATOM 133 N ILE A 9 8.474 1.837 -15.788 1.00 0.00 N ATOM 134 CA ILE A 9 9.135 3.111 -15.381 1.00 0.00 C ATOM 135 C ILE A 9 10.454 3.261 -16.141 1.00 0.00 C ATOM 136 O ILE A 9 10.730 4.289 -16.727 1.00 0.00 O ATOM 137 CB ILE A 9 9.418 3.109 -13.870 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.015 1.766 -13.250 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.619 4.230 -13.204 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.260 1.805 -11.740 1.00 0.00 C ATOM 0 H ILE A 9 8.881 0.990 -15.391 1.00 0.00 H new ATOM 0 HA ILE A 9 8.472 3.944 -15.615 1.00 0.00 H new ATOM 0 HB ILE A 9 10.485 3.265 -13.713 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.964 1.561 -13.453 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.591 0.958 -13.701 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.818 4.231 -12.132 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.914 5.189 -13.629 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.555 4.070 -13.376 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.973 0.850 -11.300 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.317 1.990 -11.548 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.665 2.603 -11.295 1.00 0.00 H new ATOM 152 N GLY A 10 11.271 2.243 -16.139 1.00 0.00 N ATOM 153 CA GLY A 10 12.571 2.328 -16.863 1.00 0.00 C ATOM 154 C GLY A 10 13.714 1.986 -15.905 1.00 0.00 C ATOM 155 O GLY A 10 14.815 1.686 -16.321 1.00 0.00 O ATOM 0 H GLY A 10 11.094 1.356 -15.667 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.574 1.640 -17.709 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.709 3.331 -17.267 1.00 0.00 H new ATOM 159 N GLY A 11 13.462 2.030 -14.625 1.00 0.00 N ATOM 160 CA GLY A 11 14.536 1.707 -13.643 1.00 0.00 C ATOM 161 C GLY A 11 13.909 1.378 -12.288 1.00 0.00 C ATOM 162 O GLY A 11 12.706 1.259 -12.162 1.00 0.00 O ATOM 0 H GLY A 11 12.560 2.275 -14.217 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.125 0.861 -13.998 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.218 2.551 -13.544 1.00 0.00 H new ATOM 166 N ASP A 12 14.714 1.230 -11.271 1.00 0.00 N ATOM 167 CA ASP A 12 14.162 0.909 -9.925 1.00 0.00 C ATOM 168 C ASP A 12 13.496 2.154 -9.335 1.00 0.00 C ATOM 169 O ASP A 12 13.901 3.269 -9.600 1.00 0.00 O ATOM 170 CB ASP A 12 15.297 0.453 -9.005 1.00 0.00 C ATOM 171 CG ASP A 12 15.695 -0.982 -9.355 1.00 0.00 C ATOM 172 OD1 ASP A 12 15.877 -1.254 -10.530 1.00 0.00 O ATOM 173 OD2 ASP A 12 15.811 -1.783 -8.443 1.00 0.00 O ATOM 0 H ASP A 12 15.729 1.318 -11.315 1.00 0.00 H new ATOM 0 HA ASP A 12 13.424 0.112 -10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.155 1.116 -9.113 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.980 0.510 -7.964 1.00 0.00 H new ATOM 178 N GLY A 13 12.479 1.973 -8.540 1.00 0.00 N ATOM 179 CA GLY A 13 11.789 3.147 -7.934 1.00 0.00 C ATOM 180 C GLY A 13 11.682 2.953 -6.421 1.00 0.00 C ATOM 181 O GLY A 13 11.604 1.843 -5.931 1.00 0.00 O ATOM 0 H GLY A 13 12.095 1.063 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.341 4.060 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.795 3.262 -8.367 1.00 0.00 H new ATOM 185 N GLU A 14 11.678 4.023 -5.674 1.00 0.00 N ATOM 186 CA GLU A 14 11.577 3.899 -4.193 1.00 0.00 C ATOM 187 C GLU A 14 10.301 4.592 -3.709 1.00 0.00 C ATOM 188 O GLU A 14 9.915 5.625 -4.218 1.00 0.00 O ATOM 189 CB GLU A 14 12.794 4.558 -3.542 1.00 0.00 C ATOM 190 CG GLU A 14 13.909 3.522 -3.378 1.00 0.00 C ATOM 191 CD GLU A 14 14.234 3.352 -1.893 1.00 0.00 C ATOM 192 OE1 GLU A 14 13.362 3.613 -1.082 1.00 0.00 O ATOM 193 OE2 GLU A 14 15.350 2.962 -1.593 1.00 0.00 O ATOM 0 H GLU A 14 11.740 4.978 -6.026 1.00 0.00 H new ATOM 0 HA GLU A 14 11.544 2.845 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.142 5.389 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.521 4.971 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.599 2.568 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.798 3.840 -3.922 1.00 0.00 H new ATOM 200 N VAL A 15 9.645 4.032 -2.730 1.00 0.00 N ATOM 201 CA VAL A 15 8.396 4.660 -2.215 1.00 0.00 C ATOM 202 C VAL A 15 8.752 5.861 -1.338 1.00 0.00 C ATOM 203 O VAL A 15 9.642 5.797 -0.513 1.00 0.00 O ATOM 204 CB VAL A 15 7.615 3.638 -1.387 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.229 4.197 -1.061 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.466 2.343 -2.187 1.00 0.00 C ATOM 0 H VAL A 15 9.920 3.167 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 15 7.784 4.992 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 15 8.152 3.435 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.673 3.469 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.334 5.121 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.692 4.400 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.910 1.614 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.929 2.547 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.453 1.944 -2.420 1.00 0.00 H new ATOM 216 N ILE A 16 8.066 6.958 -1.509 1.00 0.00 N ATOM 217 CA ILE A 16 8.368 8.162 -0.685 1.00 0.00 C ATOM 218 C ILE A 16 7.348 8.271 0.451 1.00 0.00 C ATOM 219 O ILE A 16 7.679 8.638 1.561 1.00 0.00 O ATOM 220 CB ILE A 16 8.289 9.413 -1.561 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.318 9.310 -2.690 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.587 10.651 -0.713 1.00 0.00 C ATOM 223 CD1 ILE A 16 9.165 10.506 -3.632 1.00 0.00 C ATOM 0 H ILE A 16 7.310 7.072 -2.184 1.00 0.00 H new ATOM 0 HA ILE A 16 9.371 8.074 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 16 7.288 9.496 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.326 9.286 -2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.177 8.380 -3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.531 11.542 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.856 10.725 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.587 10.569 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.898 10.432 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.161 10.509 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.327 11.430 -3.077 1.00 0.00 H new ATOM 235 N GLU A 17 6.111 7.954 0.184 1.00 0.00 N ATOM 236 CA GLU A 17 5.073 8.039 1.249 1.00 0.00 C ATOM 237 C GLU A 17 3.763 7.441 0.735 1.00 0.00 C ATOM 238 O GLU A 17 3.618 7.151 -0.437 1.00 0.00 O ATOM 239 CB GLU A 17 4.850 9.505 1.628 1.00 0.00 C ATOM 240 CG GLU A 17 4.687 9.622 3.144 1.00 0.00 C ATOM 241 CD GLU A 17 5.665 10.668 3.684 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.854 10.397 3.678 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.207 11.721 4.094 1.00 0.00 O ATOM 0 H GLU A 17 5.774 7.640 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 17 5.406 7.483 2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.693 10.110 1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.963 9.890 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.663 9.905 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.873 8.657 3.616 1.00 0.00 H new ATOM 250 N LEU A 18 2.805 7.254 1.601 1.00 0.00 N ATOM 251 CA LEU A 18 1.504 6.675 1.161 1.00 0.00 C ATOM 252 C LEU A 18 0.388 7.696 1.390 1.00 0.00 C ATOM 253 O LEU A 18 0.203 8.194 2.483 1.00 0.00 O ATOM 254 CB LEU A 18 1.210 5.409 1.969 1.00 0.00 C ATOM 255 CG LEU A 18 0.371 4.448 1.125 1.00 0.00 C ATOM 256 CD1 LEU A 18 1.283 3.682 0.165 1.00 0.00 C ATOM 257 CD2 LEU A 18 -0.347 3.458 2.044 1.00 0.00 C ATOM 0 H LEU A 18 2.867 7.477 2.594 1.00 0.00 H new ATOM 0 HA LEU A 18 1.557 6.426 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.143 4.930 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.678 5.665 2.885 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.364 5.014 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.685 2.997 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.796 4.387 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.019 3.116 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.945 2.773 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.389 2.892 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.997 4.003 2.729 1.00 0.00 H new ATOM 269 N LEU A 19 -0.357 8.013 0.366 1.00 0.00 N ATOM 270 CA LEU A 19 -1.460 9.002 0.525 1.00 0.00 C ATOM 271 C LEU A 19 -2.803 8.270 0.546 1.00 0.00 C ATOM 272 O LEU A 19 -3.812 8.791 0.113 1.00 0.00 O ATOM 273 CB LEU A 19 -1.434 9.988 -0.645 1.00 0.00 C ATOM 274 CG LEU A 19 -1.632 9.228 -1.957 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.962 9.638 -2.590 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.486 9.563 -2.915 1.00 0.00 C ATOM 0 H LEU A 19 -0.249 7.630 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.328 9.545 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.219 10.734 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.485 10.523 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.641 8.156 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.102 9.096 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.778 9.401 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.955 10.710 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.625 9.022 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.478 10.635 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.462 9.271 -2.464 1.00 0.00 H new ATOM 288 N VAL A 20 -2.824 7.064 1.044 1.00 0.00 N ATOM 289 CA VAL A 20 -4.103 6.300 1.090 1.00 0.00 C ATOM 290 C VAL A 20 -4.086 5.347 2.287 1.00 0.00 C ATOM 291 O VAL A 20 -3.057 5.110 2.890 1.00 0.00 O ATOM 292 CB VAL A 20 -4.263 5.495 -0.201 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.499 6.450 -1.372 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.991 4.683 -0.455 1.00 0.00 C ATOM 0 H VAL A 20 -2.012 6.575 1.421 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.937 6.994 1.191 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.114 4.820 -0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.613 5.877 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.404 7.030 -1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.648 7.125 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.103 4.109 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.141 5.359 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.821 4.002 0.379 1.00 0.00 H new ATOM 304 N LYS A 21 -5.217 4.798 2.636 1.00 0.00 N ATOM 305 CA LYS A 21 -5.265 3.860 3.794 1.00 0.00 C ATOM 306 C LYS A 21 -5.957 2.563 3.372 1.00 0.00 C ATOM 307 O LYS A 21 -6.388 2.416 2.246 1.00 0.00 O ATOM 308 CB LYS A 21 -6.046 4.506 4.940 1.00 0.00 C ATOM 309 CG LYS A 21 -5.099 5.360 5.787 1.00 0.00 C ATOM 310 CD LYS A 21 -5.554 5.332 7.247 1.00 0.00 C ATOM 311 CE LYS A 21 -6.074 6.714 7.647 1.00 0.00 C ATOM 312 NZ LYS A 21 -5.770 6.962 9.084 1.00 0.00 N ATOM 0 H LYS A 21 -6.110 4.958 2.170 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.250 3.638 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.852 5.123 4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.509 3.736 5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.080 4.982 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.089 6.386 5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.336 4.585 7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.724 5.043 7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.610 7.482 7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.149 6.773 7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.123 7.901 9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.233 6.236 9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.742 6.922 9.233 1.00 0.00 H new ATOM 326 N THR A 22 -6.067 1.620 4.267 1.00 0.00 N ATOM 327 CA THR A 22 -6.732 0.333 3.915 1.00 0.00 C ATOM 328 C THR A 22 -8.245 0.476 4.091 1.00 0.00 C ATOM 329 O THR A 22 -8.715 1.114 5.012 1.00 0.00 O ATOM 330 CB THR A 22 -6.215 -0.776 4.835 1.00 0.00 C ATOM 331 OG1 THR A 22 -4.796 -0.810 4.782 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.777 -2.123 4.379 1.00 0.00 C ATOM 0 H THR A 22 -5.726 1.685 5.226 1.00 0.00 H new ATOM 0 HA THR A 22 -6.509 0.080 2.879 1.00 0.00 H new ATOM 0 HB THR A 22 -6.536 -0.579 5.858 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.463 -1.518 5.372 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.408 -2.912 5.035 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.866 -2.096 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.458 -2.323 3.356 1.00 0.00 H new ATOM 340 N GLY A 23 -9.012 -0.112 3.213 1.00 0.00 N ATOM 341 CA GLY A 23 -10.494 -0.008 3.331 1.00 0.00 C ATOM 342 C GLY A 23 -10.956 1.359 2.822 1.00 0.00 C ATOM 343 O GLY A 23 -12.136 1.648 2.776 1.00 0.00 O ATOM 0 H GLY A 23 -8.677 -0.659 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.971 -0.801 2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.796 -0.141 4.370 1.00 0.00 H new ATOM 347 N ASP A 24 -10.039 2.205 2.440 1.00 0.00 N ATOM 348 CA ASP A 24 -10.430 3.552 1.935 1.00 0.00 C ATOM 349 C ASP A 24 -10.762 3.462 0.445 1.00 0.00 C ATOM 350 O ASP A 24 -10.084 2.798 -0.313 1.00 0.00 O ATOM 351 CB ASP A 24 -9.273 4.530 2.144 1.00 0.00 C ATOM 352 CG ASP A 24 -9.370 5.149 3.539 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.191 4.420 4.502 1.00 0.00 O ATOM 354 OD2 ASP A 24 -9.622 6.339 3.622 1.00 0.00 O ATOM 0 H ASP A 24 -9.036 2.022 2.456 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.306 3.905 2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.321 4.012 2.030 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.303 5.312 1.385 1.00 0.00 H new ATOM 359 N LEU A 25 -11.801 4.127 0.018 1.00 0.00 N ATOM 360 CA LEU A 25 -12.175 4.081 -1.424 1.00 0.00 C ATOM 361 C LEU A 25 -11.283 5.042 -2.212 1.00 0.00 C ATOM 362 O LEU A 25 -11.112 6.188 -1.844 1.00 0.00 O ATOM 363 CB LEU A 25 -13.639 4.495 -1.585 1.00 0.00 C ATOM 364 CG LEU A 25 -14.351 3.505 -2.508 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.078 2.454 -1.667 1.00 0.00 C ATOM 366 CD2 LEU A 25 -15.367 4.257 -3.372 1.00 0.00 C ATOM 0 H LEU A 25 -12.407 4.700 0.605 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.041 3.068 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.130 4.519 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.700 5.502 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.619 3.014 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.585 1.749 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.356 1.919 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.811 2.944 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.876 3.553 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.099 4.747 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.851 5.007 -3.971 1.00 0.00 H new ATOM 378 N ILE A 26 -10.713 4.588 -3.294 1.00 0.00 N ATOM 379 CA ILE A 26 -9.835 5.474 -4.103 1.00 0.00 C ATOM 380 C ILE A 26 -10.665 6.140 -5.203 1.00 0.00 C ATOM 381 O ILE A 26 -11.876 6.037 -5.226 1.00 0.00 O ATOM 382 CB ILE A 26 -8.726 4.632 -4.734 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.320 3.517 -3.767 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.510 5.514 -5.027 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.093 2.785 -4.315 1.00 0.00 C ATOM 0 H ILE A 26 -10.819 3.639 -3.652 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.395 6.243 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.091 4.197 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.098 3.936 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.145 2.817 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.722 4.910 -5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.795 6.309 -5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.146 5.952 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.805 1.991 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.331 2.353 -5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.268 3.489 -4.423 1.00 0.00 H new ATOM 397 N GLU A 27 -10.028 6.821 -6.113 1.00 0.00 N ATOM 398 CA GLU A 27 -10.783 7.491 -7.208 1.00 0.00 C ATOM 399 C GLU A 27 -10.203 7.068 -8.559 1.00 0.00 C ATOM 400 O GLU A 27 -9.222 6.356 -8.628 1.00 0.00 O ATOM 401 CB GLU A 27 -10.666 9.009 -7.055 1.00 0.00 C ATOM 402 CG GLU A 27 -12.046 9.600 -6.759 1.00 0.00 C ATOM 403 CD GLU A 27 -12.066 11.076 -7.161 1.00 0.00 C ATOM 404 OE1 GLU A 27 -11.446 11.407 -8.158 1.00 0.00 O ATOM 405 OE2 GLU A 27 -12.702 11.850 -6.465 1.00 0.00 O ATOM 0 H GLU A 27 -9.016 6.943 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.833 7.201 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.974 9.252 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.259 9.447 -7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.813 9.053 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.277 9.498 -5.699 1.00 0.00 H new ATOM 412 N VAL A 28 -10.803 7.500 -9.633 1.00 0.00 N ATOM 413 CA VAL A 28 -10.286 7.121 -10.978 1.00 0.00 C ATOM 414 C VAL A 28 -9.040 7.949 -11.298 1.00 0.00 C ATOM 415 O VAL A 28 -9.066 9.163 -11.273 1.00 0.00 O ATOM 416 CB VAL A 28 -11.361 7.388 -12.031 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.540 8.897 -12.206 1.00 0.00 C ATOM 418 CG2 VAL A 28 -10.934 6.769 -13.364 1.00 0.00 C ATOM 0 H VAL A 28 -11.629 8.099 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.028 6.062 -10.983 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.303 6.945 -11.708 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.307 9.088 -12.957 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.843 9.340 -11.257 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.598 9.340 -12.529 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.700 6.959 -14.115 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.992 7.213 -13.686 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.805 5.694 -13.241 1.00 0.00 H new ATOM 428 N GLU A 29 -7.948 7.301 -11.603 1.00 0.00 N ATOM 429 CA GLU A 29 -6.701 8.048 -11.928 1.00 0.00 C ATOM 430 C GLU A 29 -6.249 8.852 -10.706 1.00 0.00 C ATOM 431 O GLU A 29 -5.382 9.699 -10.796 1.00 0.00 O ATOM 432 CB GLU A 29 -6.967 9.001 -13.096 1.00 0.00 C ATOM 433 CG GLU A 29 -6.665 8.288 -14.416 1.00 0.00 C ATOM 434 CD GLU A 29 -7.794 8.559 -15.411 1.00 0.00 C ATOM 435 OE1 GLU A 29 -8.623 9.406 -15.122 1.00 0.00 O ATOM 436 OE2 GLU A 29 -7.811 7.915 -16.448 1.00 0.00 O ATOM 0 H GLU A 29 -7.867 6.285 -11.641 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.919 7.342 -12.205 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.005 9.333 -13.079 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.346 9.892 -13.001 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.716 8.638 -14.822 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.564 7.216 -14.248 1.00 0.00 H new ATOM 443 N GLN A 30 -6.826 8.594 -9.564 1.00 0.00 N ATOM 444 CA GLN A 30 -6.423 9.346 -8.342 1.00 0.00 C ATOM 445 C GLN A 30 -5.057 8.847 -7.867 1.00 0.00 C ATOM 446 O GLN A 30 -4.871 7.677 -7.600 1.00 0.00 O ATOM 447 CB GLN A 30 -7.459 9.124 -7.238 1.00 0.00 C ATOM 448 CG GLN A 30 -7.794 10.463 -6.578 1.00 0.00 C ATOM 449 CD GLN A 30 -7.417 10.412 -5.096 1.00 0.00 C ATOM 450 OE1 GLN A 30 -6.311 10.751 -4.727 1.00 0.00 O ATOM 451 NE2 GLN A 30 -8.298 9.998 -4.226 1.00 0.00 N ATOM 0 H GLN A 30 -7.557 7.897 -9.425 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.364 10.410 -8.573 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.361 8.676 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.071 8.427 -6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.254 11.270 -7.074 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.857 10.678 -6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.227 9.713 -4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.057 9.959 -3.236 1.00 0.00 H new ATOM 460 N GLY A 31 -4.099 9.726 -7.764 1.00 0.00 N ATOM 461 CA GLY A 31 -2.744 9.305 -7.310 1.00 0.00 C ATOM 462 C GLY A 31 -2.871 8.343 -6.129 1.00 0.00 C ATOM 463 O GLY A 31 -3.830 8.380 -5.384 1.00 0.00 O ATOM 0 H GLY A 31 -4.196 10.719 -7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.210 8.823 -8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.160 10.178 -7.019 1.00 0.00 H new ATOM 467 N LEU A 32 -1.908 7.479 -5.951 1.00 0.00 N ATOM 468 CA LEU A 32 -1.971 6.515 -4.818 1.00 0.00 C ATOM 469 C LEU A 32 -0.628 6.500 -4.085 1.00 0.00 C ATOM 470 O LEU A 32 -0.572 6.427 -2.874 1.00 0.00 O ATOM 471 CB LEU A 32 -2.273 5.115 -5.356 1.00 0.00 C ATOM 472 CG LEU A 32 -3.631 4.648 -4.830 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.152 3.505 -5.703 1.00 0.00 C ATOM 474 CD2 LEU A 32 -3.477 4.158 -3.388 1.00 0.00 C ATOM 0 H LEU A 32 -1.081 7.400 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.758 6.817 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.278 5.126 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.493 4.419 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.337 5.478 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.120 3.173 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.261 3.852 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.447 2.674 -5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.444 3.825 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.771 3.328 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.106 4.972 -2.765 1.00 0.00 H new ATOM 486 N VAL A 33 0.457 6.572 -4.809 1.00 0.00 N ATOM 487 CA VAL A 33 1.793 6.562 -4.149 1.00 0.00 C ATOM 488 C VAL A 33 2.725 7.541 -4.866 1.00 0.00 C ATOM 489 O VAL A 33 2.451 7.983 -5.964 1.00 0.00 O ATOM 490 CB VAL A 33 2.384 5.153 -4.216 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.460 4.174 -3.489 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.524 4.729 -5.680 1.00 0.00 C ATOM 0 H VAL A 33 0.475 6.637 -5.827 1.00 0.00 H new ATOM 0 HA VAL A 33 1.685 6.862 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 33 3.364 5.148 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.883 3.170 -3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.359 4.475 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.479 4.178 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.945 3.725 -5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.543 4.735 -6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.183 5.425 -6.199 1.00 0.00 H new ATOM 502 N VAL A 34 3.826 7.882 -4.253 1.00 0.00 N ATOM 503 CA VAL A 34 4.775 8.831 -4.898 1.00 0.00 C ATOM 504 C VAL A 34 6.190 8.252 -4.844 1.00 0.00 C ATOM 505 O VAL A 34 6.892 8.395 -3.864 1.00 0.00 O ATOM 506 CB VAL A 34 4.743 10.168 -4.156 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.816 11.097 -4.727 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.367 10.814 -4.329 1.00 0.00 C ATOM 0 H VAL A 34 4.109 7.544 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 34 4.484 8.985 -5.937 1.00 0.00 H new ATOM 0 HB VAL A 34 4.936 9.999 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.792 12.049 -4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.797 10.638 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.624 11.266 -5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.343 11.767 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.175 10.982 -5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.601 10.154 -3.921 1.00 0.00 H new ATOM 518 N LEU A 35 6.613 7.597 -5.890 1.00 0.00 N ATOM 519 CA LEU A 35 7.981 7.008 -5.898 1.00 0.00 C ATOM 520 C LEU A 35 8.974 8.032 -6.454 1.00 0.00 C ATOM 521 O LEU A 35 8.595 9.004 -7.076 1.00 0.00 O ATOM 522 CB LEU A 35 7.994 5.756 -6.777 1.00 0.00 C ATOM 523 CG LEU A 35 6.714 4.953 -6.540 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.778 5.116 -7.739 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.066 3.475 -6.367 1.00 0.00 C ATOM 0 H LEU A 35 6.070 7.444 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 35 8.266 6.740 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.070 6.037 -7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.867 5.146 -6.546 1.00 0.00 H new ATOM 0 HG LEU A 35 6.218 5.318 -5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.866 4.543 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.527 6.169 -7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.273 4.752 -8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.155 2.901 -6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.562 3.111 -7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.733 3.357 -5.513 1.00 0.00 H new ATOM 537 N GLU A 36 10.243 7.821 -6.234 1.00 0.00 N ATOM 538 CA GLU A 36 11.257 8.782 -6.750 1.00 0.00 C ATOM 539 C GLU A 36 12.251 8.043 -7.648 1.00 0.00 C ATOM 540 O GLU A 36 12.880 7.086 -7.240 1.00 0.00 O ATOM 541 CB GLU A 36 12.006 9.413 -5.574 1.00 0.00 C ATOM 542 CG GLU A 36 12.778 10.641 -6.060 1.00 0.00 C ATOM 543 CD GLU A 36 12.932 11.637 -4.909 1.00 0.00 C ATOM 544 OE1 GLU A 36 12.192 11.518 -3.947 1.00 0.00 O ATOM 545 OE2 GLU A 36 13.787 12.501 -5.009 1.00 0.00 O ATOM 0 H GLU A 36 10.621 7.025 -5.720 1.00 0.00 H new ATOM 0 HA GLU A 36 10.758 9.562 -7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.302 9.699 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.693 8.689 -5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.759 10.344 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.251 11.109 -6.892 1.00 0.00 H new ATOM 552 N SER A 37 12.397 8.477 -8.871 1.00 0.00 N ATOM 553 CA SER A 37 13.349 7.799 -9.794 1.00 0.00 C ATOM 554 C SER A 37 14.774 8.272 -9.495 1.00 0.00 C ATOM 555 O SER A 37 15.011 8.996 -8.549 1.00 0.00 O ATOM 556 CB SER A 37 12.990 8.142 -11.239 1.00 0.00 C ATOM 557 OG SER A 37 12.283 7.054 -11.819 1.00 0.00 O ATOM 0 H SER A 37 11.898 9.272 -9.270 1.00 0.00 H new ATOM 0 HA SER A 37 13.287 6.720 -9.651 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.380 9.045 -11.270 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.894 8.349 -11.811 1.00 0.00 H new ATOM 0 HG SER A 37 11.359 7.324 -12.001 1.00 0.00 H new ATOM 563 N ALA A 38 15.722 7.869 -10.296 1.00 0.00 N ATOM 564 CA ALA A 38 17.129 8.298 -10.057 1.00 0.00 C ATOM 565 C ALA A 38 17.172 9.811 -9.836 1.00 0.00 C ATOM 566 O ALA A 38 17.866 10.302 -8.969 1.00 0.00 O ATOM 567 CB ALA A 38 17.986 7.936 -11.272 1.00 0.00 C ATOM 0 H ALA A 38 15.584 7.262 -11.104 1.00 0.00 H new ATOM 0 HA ALA A 38 17.517 7.791 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.015 8.250 -11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.957 6.858 -11.430 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.597 8.442 -12.155 1.00 0.00 H new ATOM 573 N LYS A 39 16.433 10.555 -10.614 1.00 0.00 N ATOM 574 CA LYS A 39 16.431 12.035 -10.447 1.00 0.00 C ATOM 575 C LYS A 39 15.084 12.599 -10.905 1.00 0.00 C ATOM 576 O LYS A 39 14.954 13.776 -11.176 1.00 0.00 O ATOM 577 CB LYS A 39 17.552 12.645 -11.291 1.00 0.00 C ATOM 578 CG LYS A 39 17.531 12.027 -12.690 1.00 0.00 C ATOM 579 CD LYS A 39 18.396 12.866 -13.633 1.00 0.00 C ATOM 580 CE LYS A 39 17.944 14.326 -13.575 1.00 0.00 C ATOM 581 NZ LYS A 39 18.950 15.129 -12.822 1.00 0.00 N ATOM 0 H LYS A 39 15.831 10.201 -11.358 1.00 0.00 H new ATOM 0 HA LYS A 39 16.590 12.282 -9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.425 13.726 -11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 39 18.517 12.466 -10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.903 11.003 -12.652 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.508 11.980 -13.063 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.445 12.787 -13.348 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.313 12.489 -14.652 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.828 14.722 -14.584 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.970 14.397 -13.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.507 16.003 -12.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.303 14.575 -12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.743 15.370 -13.450 1.00 0.00 H new ATOM 595 N ALA A 40 14.081 11.768 -10.992 1.00 0.00 N ATOM 596 CA ALA A 40 12.745 12.258 -11.431 1.00 0.00 C ATOM 597 C ALA A 40 11.717 11.992 -10.330 1.00 0.00 C ATOM 598 O ALA A 40 12.060 11.630 -9.222 1.00 0.00 O ATOM 599 CB ALA A 40 12.327 11.524 -12.707 1.00 0.00 C ATOM 0 H ALA A 40 14.130 10.772 -10.778 1.00 0.00 H new ATOM 0 HA ALA A 40 12.797 13.329 -11.628 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.349 11.882 -13.029 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.059 11.713 -13.492 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.274 10.453 -12.510 1.00 0.00 H new ATOM 605 N SER A 41 10.458 12.170 -10.624 1.00 0.00 N ATOM 606 CA SER A 41 9.410 11.927 -9.593 1.00 0.00 C ATOM 607 C SER A 41 8.069 11.666 -10.279 1.00 0.00 C ATOM 608 O SER A 41 7.401 12.578 -10.725 1.00 0.00 O ATOM 609 CB SER A 41 9.291 13.154 -8.689 1.00 0.00 C ATOM 610 OG SER A 41 9.517 12.768 -7.340 1.00 0.00 O ATOM 0 H SER A 41 10.110 12.473 -11.534 1.00 0.00 H new ATOM 0 HA SER A 41 9.685 11.059 -8.993 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.015 13.912 -8.988 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.302 13.600 -8.791 1.00 0.00 H new ATOM 0 HG SER A 41 9.443 13.553 -6.758 1.00 0.00 H new ATOM 616 N MET A 42 7.667 10.427 -10.367 1.00 0.00 N ATOM 617 CA MET A 42 6.369 10.111 -11.025 1.00 0.00 C ATOM 618 C MET A 42 5.397 9.541 -9.988 1.00 0.00 C ATOM 619 O MET A 42 5.784 8.809 -9.099 1.00 0.00 O ATOM 620 CB MET A 42 6.595 9.079 -12.132 1.00 0.00 C ATOM 621 CG MET A 42 7.686 8.097 -11.700 1.00 0.00 C ATOM 622 SD MET A 42 9.311 8.777 -12.121 1.00 0.00 S ATOM 623 CE MET A 42 9.433 8.056 -13.777 1.00 0.00 C ATOM 0 H MET A 42 8.182 9.621 -10.012 1.00 0.00 H new ATOM 0 HA MET A 42 5.950 11.020 -11.456 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.669 8.542 -12.338 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.886 9.579 -13.056 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.623 7.915 -10.627 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.542 7.136 -12.195 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.090 7.187 -13.748 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.443 7.751 -14.115 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.840 8.796 -14.467 1.00 0.00 H new ATOM 633 N GLU A 43 4.140 9.870 -10.095 1.00 0.00 N ATOM 634 CA GLU A 43 3.147 9.347 -9.116 1.00 0.00 C ATOM 635 C GLU A 43 2.382 8.177 -9.739 1.00 0.00 C ATOM 636 O GLU A 43 2.401 7.979 -10.937 1.00 0.00 O ATOM 637 CB GLU A 43 2.163 10.459 -8.744 1.00 0.00 C ATOM 638 CG GLU A 43 1.425 10.929 -9.999 1.00 0.00 C ATOM 639 CD GLU A 43 0.404 12.003 -9.620 1.00 0.00 C ATOM 640 OE1 GLU A 43 -0.712 11.640 -9.286 1.00 0.00 O ATOM 641 OE2 GLU A 43 0.755 13.171 -9.669 1.00 0.00 O ATOM 0 H GLU A 43 3.757 10.479 -10.818 1.00 0.00 H new ATOM 0 HA GLU A 43 3.666 9.006 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.450 10.095 -8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.696 11.294 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.135 11.327 -10.723 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.923 10.087 -10.475 1.00 0.00 H new ATOM 648 N VAL A 44 1.709 7.402 -8.935 1.00 0.00 N ATOM 649 CA VAL A 44 0.943 6.247 -9.481 1.00 0.00 C ATOM 650 C VAL A 44 -0.445 6.206 -8.833 1.00 0.00 C ATOM 651 O VAL A 44 -0.583 5.788 -7.700 1.00 0.00 O ATOM 652 CB VAL A 44 1.688 4.948 -9.165 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.949 3.767 -9.798 1.00 0.00 C ATOM 654 CG2 VAL A 44 3.107 5.024 -9.734 1.00 0.00 C ATOM 0 H VAL A 44 1.656 7.518 -7.923 1.00 0.00 H new ATOM 0 HA VAL A 44 0.840 6.356 -10.561 1.00 0.00 H new ATOM 0 HB VAL A 44 1.735 4.810 -8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.480 2.842 -9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.062 3.712 -9.395 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.902 3.904 -10.878 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.639 4.099 -9.510 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.059 5.162 -10.814 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.635 5.865 -9.284 1.00 0.00 H new ATOM 664 N PRO A 45 -1.436 6.646 -9.569 1.00 0.00 N ATOM 665 CA PRO A 45 -2.828 6.674 -9.085 1.00 0.00 C ATOM 666 C PRO A 45 -3.440 5.273 -9.138 1.00 0.00 C ATOM 667 O PRO A 45 -2.757 4.292 -9.358 1.00 0.00 O ATOM 668 CB PRO A 45 -3.532 7.613 -10.067 1.00 0.00 C ATOM 669 CG PRO A 45 -2.679 7.614 -11.354 1.00 0.00 C ATOM 670 CD PRO A 45 -1.267 7.152 -10.946 1.00 0.00 C ATOM 0 HA PRO A 45 -2.915 7.005 -8.050 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.546 7.271 -10.273 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.613 8.618 -9.653 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.105 6.945 -12.102 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.648 8.609 -11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.894 6.375 -11.613 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.552 7.974 -10.983 1.00 0.00 H new ATOM 678 N SER A 46 -4.724 5.174 -8.940 1.00 0.00 N ATOM 679 CA SER A 46 -5.385 3.839 -8.980 1.00 0.00 C ATOM 680 C SER A 46 -5.747 3.491 -10.429 1.00 0.00 C ATOM 681 O SER A 46 -6.192 4.343 -11.173 1.00 0.00 O ATOM 682 CB SER A 46 -6.657 3.876 -8.132 1.00 0.00 C ATOM 683 OG SER A 46 -7.667 3.103 -8.764 1.00 0.00 O ATOM 0 H SER A 46 -5.346 5.960 -8.752 1.00 0.00 H new ATOM 0 HA SER A 46 -4.705 3.084 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.454 3.485 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.995 4.905 -8.008 1.00 0.00 H new ATOM 0 HG SER A 46 -8.323 2.813 -8.096 1.00 0.00 H new ATOM 689 N PRO A 47 -5.548 2.247 -10.788 1.00 0.00 N ATOM 690 CA PRO A 47 -5.850 1.759 -12.144 1.00 0.00 C ATOM 691 C PRO A 47 -7.351 1.507 -12.296 1.00 0.00 C ATOM 692 O PRO A 47 -7.851 1.285 -13.381 1.00 0.00 O ATOM 693 CB PRO A 47 -5.063 0.449 -12.236 1.00 0.00 C ATOM 694 CG PRO A 47 -4.831 -0.024 -10.780 1.00 0.00 C ATOM 695 CD PRO A 47 -5.005 1.216 -9.882 1.00 0.00 C ATOM 0 HA PRO A 47 -5.580 2.468 -12.927 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.618 -0.298 -12.804 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.114 0.601 -12.751 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.543 -0.803 -10.507 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.834 -0.449 -10.665 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.685 1.016 -9.054 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.056 1.529 -9.447 1.00 0.00 H new ATOM 703 N LYS A 48 -8.069 1.541 -11.211 1.00 0.00 N ATOM 704 CA LYS A 48 -9.539 1.306 -11.278 1.00 0.00 C ATOM 705 C LYS A 48 -10.200 1.864 -10.016 1.00 0.00 C ATOM 706 O LYS A 48 -9.628 1.847 -8.945 1.00 0.00 O ATOM 707 CB LYS A 48 -9.812 -0.197 -11.374 1.00 0.00 C ATOM 708 CG LYS A 48 -10.883 -0.455 -12.436 1.00 0.00 C ATOM 709 CD LYS A 48 -11.668 -1.717 -12.074 1.00 0.00 C ATOM 710 CE LYS A 48 -12.667 -1.396 -10.959 1.00 0.00 C ATOM 711 NZ LYS A 48 -14.055 -1.555 -11.475 1.00 0.00 N ATOM 0 H LYS A 48 -7.702 1.722 -10.277 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.948 1.806 -12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.895 -0.728 -11.630 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.143 -0.580 -10.408 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.557 0.399 -12.502 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.419 -0.571 -13.415 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.194 -2.094 -12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.985 -2.502 -11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.505 -2.059 -10.109 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.515 -0.377 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.734 -1.337 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.205 -0.905 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.196 -2.534 -11.795 1.00 0.00 H new ATOM 725 N ALA A 49 -11.403 2.357 -10.132 1.00 0.00 N ATOM 726 CA ALA A 49 -12.097 2.913 -8.935 1.00 0.00 C ATOM 727 C ALA A 49 -12.598 1.764 -8.059 1.00 0.00 C ATOM 728 O ALA A 49 -13.428 0.976 -8.466 1.00 0.00 O ATOM 729 CB ALA A 49 -13.285 3.766 -9.386 1.00 0.00 C ATOM 0 H ALA A 49 -11.934 2.399 -11.002 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.403 3.530 -8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.793 4.173 -8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.929 4.584 -10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.980 3.149 -9.956 1.00 0.00 H new ATOM 735 N GLY A 50 -12.100 1.661 -6.856 1.00 0.00 N ATOM 736 CA GLY A 50 -12.550 0.560 -5.957 1.00 0.00 C ATOM 737 C GLY A 50 -12.136 0.874 -4.518 1.00 0.00 C ATOM 738 O GLY A 50 -12.055 2.020 -4.122 1.00 0.00 O ATOM 0 H GLY A 50 -11.403 2.290 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.632 0.446 -6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.111 -0.386 -6.275 1.00 0.00 H new ATOM 742 N VAL A 51 -11.873 -0.135 -3.733 1.00 0.00 N ATOM 743 CA VAL A 51 -11.466 0.108 -2.321 1.00 0.00 C ATOM 744 C VAL A 51 -10.147 -0.617 -2.039 1.00 0.00 C ATOM 745 O VAL A 51 -9.892 -1.686 -2.559 1.00 0.00 O ATOM 746 CB VAL A 51 -12.549 -0.419 -1.379 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.587 -1.947 -1.448 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.235 0.017 0.054 1.00 0.00 C ATOM 0 H VAL A 51 -11.922 -1.116 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.335 1.178 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.517 -0.017 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.359 -2.322 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.810 -2.260 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.619 -2.349 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.007 -0.358 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.267 -0.385 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.207 1.105 0.105 1.00 0.00 H new ATOM 758 N VAL A 52 -9.308 -0.045 -1.220 1.00 0.00 N ATOM 759 CA VAL A 52 -8.008 -0.702 -0.907 1.00 0.00 C ATOM 760 C VAL A 52 -8.265 -2.011 -0.160 1.00 0.00 C ATOM 761 O VAL A 52 -9.134 -2.096 0.685 1.00 0.00 O ATOM 762 CB VAL A 52 -7.165 0.228 -0.032 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.798 -0.408 0.223 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.978 1.568 -0.746 1.00 0.00 C ATOM 0 H VAL A 52 -9.466 0.849 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.474 -0.912 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.673 0.389 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.199 0.256 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.930 -1.363 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.289 -0.571 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.378 2.231 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.471 1.406 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.952 2.023 -0.927 1.00 0.00 H new ATOM 774 N LYS A 53 -7.515 -3.035 -0.464 1.00 0.00 N ATOM 775 CA LYS A 53 -7.715 -4.339 0.230 1.00 0.00 C ATOM 776 C LYS A 53 -6.450 -4.697 1.014 1.00 0.00 C ATOM 777 O LYS A 53 -6.510 -5.077 2.166 1.00 0.00 O ATOM 778 CB LYS A 53 -8.000 -5.429 -0.805 1.00 0.00 C ATOM 779 CG LYS A 53 -8.001 -6.796 -0.119 1.00 0.00 C ATOM 780 CD LYS A 53 -8.928 -6.756 1.098 1.00 0.00 C ATOM 781 CE LYS A 53 -9.458 -8.162 1.383 1.00 0.00 C ATOM 782 NZ LYS A 53 -8.614 -8.811 2.425 1.00 0.00 N ATOM 0 H LYS A 53 -6.772 -3.025 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.558 -4.261 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.963 -5.249 -1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.245 -5.405 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.333 -7.565 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.990 -7.061 0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.389 -6.376 1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.758 -6.074 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.494 -8.110 1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.449 -8.757 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.975 -9.767 2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.632 -8.873 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.645 -8.246 3.298 1.00 0.00 H new ATOM 796 N SER A 54 -5.306 -4.580 0.398 1.00 0.00 N ATOM 797 CA SER A 54 -4.040 -4.914 1.107 1.00 0.00 C ATOM 798 C SER A 54 -2.946 -3.931 0.688 1.00 0.00 C ATOM 799 O SER A 54 -3.065 -3.241 -0.304 1.00 0.00 O ATOM 800 CB SER A 54 -3.612 -6.337 0.746 1.00 0.00 C ATOM 801 OG SER A 54 -3.474 -7.102 1.936 1.00 0.00 O ATOM 0 H SER A 54 -5.194 -4.267 -0.566 1.00 0.00 H new ATOM 0 HA SER A 54 -4.198 -4.845 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.351 -6.796 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.668 -6.318 0.201 1.00 0.00 H new ATOM 0 HG SER A 54 -3.201 -8.015 1.708 1.00 0.00 H new ATOM 807 N VAL A 55 -1.879 -3.862 1.437 1.00 0.00 N ATOM 808 CA VAL A 55 -0.778 -2.923 1.080 1.00 0.00 C ATOM 809 C VAL A 55 0.520 -3.709 0.886 1.00 0.00 C ATOM 810 O VAL A 55 1.014 -4.344 1.795 1.00 0.00 O ATOM 811 CB VAL A 55 -0.592 -1.902 2.205 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.623 -1.025 1.903 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.842 -1.025 2.307 1.00 0.00 C ATOM 0 H VAL A 55 -1.722 -4.415 2.280 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.030 -2.403 0.156 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.436 -2.425 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.755 -0.298 2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.513 -1.650 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.468 -0.501 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.711 -0.297 3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.998 -0.502 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.708 -1.650 2.523 1.00 0.00 H new ATOM 823 N SER A 56 1.076 -3.672 -0.295 1.00 0.00 N ATOM 824 CA SER A 56 2.341 -4.418 -0.546 1.00 0.00 C ATOM 825 C SER A 56 3.500 -3.429 -0.684 1.00 0.00 C ATOM 826 O SER A 56 4.517 -3.728 -1.276 1.00 0.00 O ATOM 827 CB SER A 56 2.207 -5.229 -1.836 1.00 0.00 C ATOM 828 OG SER A 56 3.337 -6.079 -1.976 1.00 0.00 O ATOM 0 H SER A 56 0.709 -3.158 -1.096 1.00 0.00 H new ATOM 0 HA SER A 56 2.536 -5.091 0.289 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.292 -5.822 -1.813 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.132 -4.560 -2.693 1.00 0.00 H new ATOM 0 HG SER A 56 4.157 -5.554 -1.864 1.00 0.00 H new ATOM 834 N VAL A 57 3.353 -2.250 -0.143 1.00 0.00 N ATOM 835 CA VAL A 57 4.447 -1.243 -0.243 1.00 0.00 C ATOM 836 C VAL A 57 4.508 -0.424 1.048 1.00 0.00 C ATOM 837 O VAL A 57 3.559 -0.371 1.806 1.00 0.00 O ATOM 838 CB VAL A 57 4.175 -0.312 -1.426 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.147 -1.125 -2.721 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.824 0.379 -1.229 1.00 0.00 C ATOM 0 H VAL A 57 2.523 -1.941 0.363 1.00 0.00 H new ATOM 0 HA VAL A 57 5.398 -1.754 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 57 4.963 0.438 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.953 -0.461 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.109 -1.618 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.359 -1.876 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.629 1.043 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.036 -0.372 -1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.843 0.959 -0.306 1.00 0.00 H new ATOM 850 N LYS A 58 5.615 0.216 1.304 1.00 0.00 N ATOM 851 CA LYS A 58 5.735 1.030 2.546 1.00 0.00 C ATOM 852 C LYS A 58 6.411 2.363 2.218 1.00 0.00 C ATOM 853 O LYS A 58 6.935 2.556 1.139 1.00 0.00 O ATOM 854 CB LYS A 58 6.577 0.272 3.575 1.00 0.00 C ATOM 855 CG LYS A 58 6.000 0.497 4.974 1.00 0.00 C ATOM 856 CD LYS A 58 5.099 -0.681 5.351 1.00 0.00 C ATOM 857 CE LYS A 58 3.637 -0.230 5.342 1.00 0.00 C ATOM 858 NZ LYS A 58 2.748 -1.421 5.449 1.00 0.00 N ATOM 0 H LYS A 58 6.442 0.211 0.707 1.00 0.00 H new ATOM 0 HA LYS A 58 4.742 1.216 2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.585 -0.792 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.611 0.615 3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.807 0.598 5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.431 1.426 4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.242 -1.501 4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.368 -1.057 6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.451 0.452 6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.420 0.318 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.754 -1.114 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.919 -2.056 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.949 -1.926 6.336 1.00 0.00 H new ATOM 872 N LEU A 59 6.403 3.286 3.141 1.00 0.00 N ATOM 873 CA LEU A 59 7.044 4.605 2.881 1.00 0.00 C ATOM 874 C LEU A 59 8.540 4.515 3.190 1.00 0.00 C ATOM 875 O LEU A 59 8.948 4.528 4.335 1.00 0.00 O ATOM 876 CB LEU A 59 6.402 5.670 3.772 1.00 0.00 C ATOM 877 CG LEU A 59 6.400 5.187 5.223 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.904 6.307 6.136 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.975 4.803 5.629 1.00 0.00 C ATOM 0 H LEU A 59 5.980 3.183 4.064 1.00 0.00 H new ATOM 0 HA LEU A 59 6.905 4.876 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.952 6.608 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.382 5.869 3.442 1.00 0.00 H new ATOM 0 HG LEU A 59 7.053 4.320 5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.902 5.962 7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.918 6.583 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.251 7.175 6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.972 4.458 6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.323 5.671 5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.614 4.005 4.980 1.00 0.00 H new ATOM 891 N GLY A 60 9.360 4.423 2.179 1.00 0.00 N ATOM 892 CA GLY A 60 10.829 4.332 2.418 1.00 0.00 C ATOM 893 C GLY A 60 11.340 2.970 1.943 1.00 0.00 C ATOM 894 O GLY A 60 12.528 2.757 1.800 1.00 0.00 O ATOM 0 H GLY A 60 9.077 4.407 1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.345 5.131 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.045 4.464 3.478 1.00 0.00 H new ATOM 898 N ASP A 61 10.453 2.045 1.697 1.00 0.00 N ATOM 899 CA ASP A 61 10.889 0.699 1.232 1.00 0.00 C ATOM 900 C ASP A 61 11.228 0.759 -0.259 1.00 0.00 C ATOM 901 O ASP A 61 10.537 1.386 -1.037 1.00 0.00 O ATOM 902 CB ASP A 61 9.760 -0.309 1.457 1.00 0.00 C ATOM 903 CG ASP A 61 9.722 -0.712 2.933 1.00 0.00 C ATOM 904 OD1 ASP A 61 9.761 0.175 3.770 1.00 0.00 O ATOM 905 OD2 ASP A 61 9.654 -1.900 3.201 1.00 0.00 O ATOM 0 H ASP A 61 9.445 2.164 1.798 1.00 0.00 H new ATOM 0 HA ASP A 61 11.771 0.389 1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.805 0.127 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.914 -1.189 0.833 1.00 0.00 H new ATOM 910 N LYS A 62 12.288 0.113 -0.662 1.00 0.00 N ATOM 911 CA LYS A 62 12.669 0.135 -2.103 1.00 0.00 C ATOM 912 C LYS A 62 11.818 -0.878 -2.870 1.00 0.00 C ATOM 913 O LYS A 62 11.359 -1.861 -2.321 1.00 0.00 O ATOM 914 CB LYS A 62 14.148 -0.232 -2.244 1.00 0.00 C ATOM 915 CG LYS A 62 14.513 -0.320 -3.727 1.00 0.00 C ATOM 916 CD LYS A 62 16.030 -0.460 -3.872 1.00 0.00 C ATOM 917 CE LYS A 62 16.357 -1.794 -4.547 1.00 0.00 C ATOM 918 NZ LYS A 62 16.769 -2.785 -3.513 1.00 0.00 N ATOM 0 H LYS A 62 12.906 -0.428 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 62 12.501 1.133 -2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.768 0.516 -1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.346 -1.185 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.013 -1.173 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.168 0.571 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.427 0.366 -4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.506 -0.409 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.487 -2.161 -5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.156 -1.659 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.991 -3.692 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.610 -2.434 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.993 -2.921 -2.834 1.00 0.00 H new ATOM 932 N LEU A 63 11.601 -0.647 -4.136 1.00 0.00 N ATOM 933 CA LEU A 63 10.779 -1.597 -4.937 1.00 0.00 C ATOM 934 C LEU A 63 11.387 -1.749 -6.332 1.00 0.00 C ATOM 935 O LEU A 63 11.786 -0.784 -6.954 1.00 0.00 O ATOM 936 CB LEU A 63 9.352 -1.059 -5.058 1.00 0.00 C ATOM 937 CG LEU A 63 8.740 -0.918 -3.663 1.00 0.00 C ATOM 938 CD1 LEU A 63 7.436 -0.122 -3.754 1.00 0.00 C ATOM 939 CD2 LEU A 63 8.448 -2.307 -3.093 1.00 0.00 C ATOM 0 H LEU A 63 11.958 0.159 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 63 10.761 -2.568 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.358 -0.093 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.748 -1.733 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 63 9.440 -0.395 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.001 -0.022 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.642 0.868 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.736 -0.644 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.012 -2.208 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.748 -2.829 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.376 -2.876 -3.027 1.00 0.00 H new ATOM 951 N LYS A 64 11.463 -2.953 -6.829 1.00 0.00 N ATOM 952 CA LYS A 64 12.045 -3.165 -8.185 1.00 0.00 C ATOM 953 C LYS A 64 10.924 -3.472 -9.179 1.00 0.00 C ATOM 954 O LYS A 64 9.913 -4.048 -8.830 1.00 0.00 O ATOM 955 CB LYS A 64 13.025 -4.340 -8.140 1.00 0.00 C ATOM 956 CG LYS A 64 13.826 -4.388 -9.443 1.00 0.00 C ATOM 957 CD LYS A 64 14.624 -5.690 -9.504 1.00 0.00 C ATOM 958 CE LYS A 64 15.032 -5.973 -10.951 1.00 0.00 C ATOM 959 NZ LYS A 64 14.209 -7.093 -11.489 1.00 0.00 N ATOM 0 H LYS A 64 11.147 -3.799 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 64 12.572 -2.264 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.699 -4.233 -7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.482 -5.275 -8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.154 -4.321 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.500 -3.533 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.510 -5.615 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.025 -6.514 -9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.893 -5.080 -11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.090 -6.230 -10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.486 -7.286 -12.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.363 -7.945 -10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.203 -6.831 -11.458 1.00 0.00 H new ATOM 973 N GLU A 65 11.096 -3.090 -10.415 1.00 0.00 N ATOM 974 CA GLU A 65 10.042 -3.356 -11.433 1.00 0.00 C ATOM 975 C GLU A 65 9.503 -4.777 -11.254 1.00 0.00 C ATOM 976 O GLU A 65 10.217 -5.679 -10.864 1.00 0.00 O ATOM 977 CB GLU A 65 10.640 -3.211 -12.834 1.00 0.00 C ATOM 978 CG GLU A 65 10.462 -1.771 -13.318 1.00 0.00 C ATOM 979 CD GLU A 65 11.826 -1.184 -13.687 1.00 0.00 C ATOM 980 OE1 GLU A 65 12.819 -1.690 -13.192 1.00 0.00 O ATOM 981 OE2 GLU A 65 11.853 -0.238 -14.457 1.00 0.00 O ATOM 0 H GLU A 65 11.922 -2.604 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 65 9.228 -2.642 -11.308 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.698 -3.472 -12.818 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.152 -3.900 -13.523 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.798 -1.746 -14.182 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.994 -1.169 -12.539 1.00 0.00 H new ATOM 988 N GLY A 66 8.245 -4.984 -11.537 1.00 0.00 N ATOM 989 CA GLY A 66 7.661 -6.345 -11.383 1.00 0.00 C ATOM 990 C GLY A 66 7.270 -6.575 -9.920 1.00 0.00 C ATOM 991 O GLY A 66 6.701 -7.591 -9.574 1.00 0.00 O ATOM 0 H GLY A 66 7.598 -4.269 -11.868 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.786 -6.451 -12.024 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.382 -7.099 -11.700 1.00 0.00 H new ATOM 995 N ASP A 67 7.571 -5.640 -9.060 1.00 0.00 N ATOM 996 CA ASP A 67 7.216 -5.807 -7.623 1.00 0.00 C ATOM 997 C ASP A 67 5.759 -5.391 -7.407 1.00 0.00 C ATOM 998 O ASP A 67 5.335 -4.336 -7.835 1.00 0.00 O ATOM 999 CB ASP A 67 8.130 -4.930 -6.766 1.00 0.00 C ATOM 1000 CG ASP A 67 9.526 -5.553 -6.706 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.950 -6.107 -7.707 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.147 -5.466 -5.659 1.00 0.00 O ATOM 0 H ASP A 67 8.047 -4.768 -9.291 1.00 0.00 H new ATOM 0 HA ASP A 67 7.342 -6.851 -7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.186 -3.926 -7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.720 -4.833 -5.761 1.00 0.00 H new ATOM 1007 N ALA A 68 4.990 -6.211 -6.744 1.00 0.00 N ATOM 1008 CA ALA A 68 3.562 -5.862 -6.501 1.00 0.00 C ATOM 1009 C ALA A 68 3.474 -4.450 -5.918 1.00 0.00 C ATOM 1010 O ALA A 68 4.475 -3.798 -5.690 1.00 0.00 O ATOM 1011 CB ALA A 68 2.955 -6.860 -5.513 1.00 0.00 C ATOM 0 H ALA A 68 5.289 -7.107 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 68 3.013 -5.901 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.910 -6.606 -5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.018 -7.866 -5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.504 -6.820 -4.572 1.00 0.00 H new ATOM 1017 N ILE A 69 2.285 -3.971 -5.675 1.00 0.00 N ATOM 1018 CA ILE A 69 2.134 -2.602 -5.107 1.00 0.00 C ATOM 1019 C ILE A 69 0.908 -2.562 -4.192 1.00 0.00 C ATOM 1020 O ILE A 69 1.025 -2.483 -2.985 1.00 0.00 O ATOM 1021 CB ILE A 69 1.953 -1.595 -6.244 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.257 -1.486 -7.038 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.596 -0.225 -5.664 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.358 -0.925 -6.137 1.00 0.00 C ATOM 0 H ILE A 69 1.411 -4.469 -5.845 1.00 0.00 H new ATOM 0 HA ILE A 69 3.025 -2.347 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 69 1.151 -1.931 -6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.547 -2.466 -7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.115 -0.838 -7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.467 0.491 -6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.669 -0.301 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.397 0.112 -5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.287 -0.847 -6.702 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.067 0.063 -5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.506 -1.590 -5.286 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.268 -2.616 -4.755 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.498 -2.581 -3.917 1.00 0.00 C ATOM 1038 C ILE A 70 -2.516 -3.583 -4.463 1.00 0.00 C ATOM 1039 O ILE A 70 -2.235 -4.333 -5.377 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.099 -1.174 -3.951 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.095 -0.655 -5.391 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.266 -0.241 -3.072 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.504 -0.200 -5.774 1.00 0.00 C ATOM 0 H ILE A 70 -0.429 -2.683 -5.760 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.245 -2.843 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.122 -1.207 -3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.395 0.175 -5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.757 -1.438 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.695 0.761 -3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.266 -0.611 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.242 -0.207 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.501 0.170 -6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.192 -1.041 -5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.824 0.596 -5.102 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.697 -3.604 -3.909 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.733 -4.559 -4.397 1.00 0.00 C ATOM 1057 C GLU A 71 -6.123 -3.955 -4.189 1.00 0.00 C ATOM 1058 O GLU A 71 -6.650 -3.949 -3.095 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.624 -5.871 -3.616 1.00 0.00 C ATOM 1060 CG GLU A 71 -5.331 -6.986 -4.392 1.00 0.00 C ATOM 1061 CD GLU A 71 -6.590 -7.414 -3.636 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -7.604 -6.757 -3.794 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -6.516 -8.393 -2.911 1.00 0.00 O ATOM 0 H GLU A 71 -3.990 -3.002 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.577 -4.753 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.576 -6.129 -3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.074 -5.758 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.594 -6.638 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.662 -7.837 -4.517 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.719 -3.444 -5.231 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.075 -2.840 -5.093 1.00 0.00 C ATOM 1072 C LEU A 72 -9.139 -3.907 -5.363 1.00 0.00 C ATOM 1073 O LEU A 72 -9.102 -4.595 -6.362 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.228 -1.699 -6.101 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.697 -1.278 -6.178 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.786 0.189 -6.601 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.422 -2.149 -7.207 1.00 0.00 C ATOM 0 H LEU A 72 -6.326 -3.418 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.200 -2.452 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.611 -0.851 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.878 -2.018 -7.083 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.163 -1.403 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.832 0.489 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.268 0.810 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.321 0.315 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.469 -1.851 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.956 -2.022 -8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.359 -3.195 -6.907 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.088 -4.048 -4.478 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.153 -5.070 -4.683 1.00 0.00 C ATOM 1091 C GLU A 73 -12.318 -4.442 -5.455 1.00 0.00 C ATOM 1092 O GLU A 73 -12.623 -3.279 -5.274 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.651 -5.566 -3.323 1.00 0.00 C ATOM 1094 CG GLU A 73 -11.967 -7.060 -3.409 1.00 0.00 C ATOM 1095 CD GLU A 73 -11.582 -7.740 -2.094 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -11.093 -7.051 -1.214 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -11.782 -8.939 -1.989 1.00 0.00 O ATOM 0 H GLU A 73 -10.172 -3.500 -3.622 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.750 -5.909 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.894 -5.387 -2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.541 -5.012 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.028 -7.207 -3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.421 -7.511 -4.237 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.936 -5.232 -6.296 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.075 -4.784 -7.116 1.00 0.00 C ATOM 1106 C PRO A 74 -15.355 -4.740 -6.275 1.00 0.00 C ATOM 1107 O PRO A 74 -15.507 -5.476 -5.319 1.00 0.00 O ATOM 1108 CB PRO A 74 -14.175 -5.853 -8.208 1.00 0.00 C ATOM 1109 CG PRO A 74 -13.485 -7.118 -7.644 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.557 -6.646 -6.508 1.00 0.00 C ATOM 0 HA PRO A 74 -13.943 -3.780 -7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.216 -6.057 -8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.687 -5.520 -9.124 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.223 -7.828 -7.271 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.917 -7.628 -8.422 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.701 -7.237 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.507 -6.740 -6.786 1.00 0.00 H new ATOM 1118 N ALA A 75 -16.276 -3.885 -6.624 1.00 0.00 N ATOM 1119 CA ALA A 75 -17.544 -3.795 -5.845 1.00 0.00 C ATOM 1120 C ALA A 75 -18.537 -4.835 -6.366 1.00 0.00 C ATOM 1121 O ALA A 75 -19.172 -5.538 -5.605 1.00 0.00 O ATOM 1122 CB ALA A 75 -18.141 -2.395 -6.003 1.00 0.00 C ATOM 0 H ALA A 75 -16.206 -3.245 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.338 -3.985 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.068 -2.328 -5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -17.433 -1.654 -5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.347 -2.204 -7.056 1.00 0.00 H new ATOM 1128 N ALA A 76 -18.676 -4.940 -7.660 1.00 0.00 N ATOM 1129 CA ALA A 76 -19.629 -5.935 -8.229 1.00 0.00 C ATOM 1130 C ALA A 76 -20.978 -5.814 -7.517 1.00 0.00 C ATOM 1131 O ALA A 76 -21.203 -4.906 -6.742 1.00 0.00 O ATOM 1132 CB ALA A 76 -19.072 -7.346 -8.029 1.00 0.00 C ATOM 0 H ALA A 76 -18.171 -4.380 -8.347 1.00 0.00 H new ATOM 0 HA ALA A 76 -19.762 -5.744 -9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.768 -8.074 -8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.111 -7.433 -8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -18.940 -7.537 -6.964 1.00 0.00 H new ATOM 1138 N GLY A 77 -21.878 -6.723 -7.775 1.00 0.00 N ATOM 1139 CA GLY A 77 -23.212 -6.660 -7.114 1.00 0.00 C ATOM 1140 C GLY A 77 -23.426 -7.919 -6.271 1.00 0.00 C ATOM 1141 O GLY A 77 -23.406 -7.874 -5.057 1.00 0.00 O ATOM 0 H GLY A 77 -21.747 -7.506 -8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -23.276 -5.773 -6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -23.998 -6.575 -7.865 1.00 0.00 H new ATOM 1145 N ALA A 78 -23.631 -9.041 -6.906 1.00 0.00 N ATOM 1146 CA ALA A 78 -23.846 -10.301 -6.140 1.00 0.00 C ATOM 1147 C ALA A 78 -24.850 -10.048 -5.013 1.00 0.00 C ATOM 1148 O ALA A 78 -24.683 -10.516 -3.904 1.00 0.00 O ATOM 1149 CB ALA A 78 -22.517 -10.768 -5.544 1.00 0.00 C ATOM 0 H ALA A 78 -23.659 -9.139 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 78 -24.235 -11.070 -6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -22.673 -11.690 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -21.802 -10.948 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -22.127 -9.999 -4.877 1.00 0.00 H new ATOM 1155 N ARG A 79 -25.891 -9.312 -5.287 1.00 0.00 N ATOM 1156 CA ARG A 79 -26.904 -9.030 -4.232 1.00 0.00 C ATOM 1157 C ARG A 79 -26.246 -8.258 -3.086 1.00 0.00 C ATOM 1158 O ARG A 79 -26.620 -8.493 -1.949 1.00 0.00 O ATOM 1159 CB ARG A 79 -27.467 -10.350 -3.700 1.00 0.00 C ATOM 1160 CG ARG A 79 -28.996 -10.299 -3.718 1.00 0.00 C ATOM 1161 CD ARG A 79 -29.552 -11.243 -2.652 1.00 0.00 C ATOM 1162 NE ARG A 79 -29.130 -10.772 -1.302 1.00 0.00 N ATOM 1163 CZ ARG A 79 -29.978 -10.789 -0.310 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -30.153 -11.883 0.380 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -30.651 -9.713 -0.009 1.00 0.00 N ATOM 0 H ARG A 79 -26.084 -8.893 -6.197 1.00 0.00 H new ATOM 0 HA ARG A 79 -27.713 -8.434 -4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -27.113 -11.181 -4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -27.111 -10.526 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -29.338 -9.281 -3.531 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -29.368 -10.585 -4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -30.640 -11.278 -2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -29.191 -12.257 -2.825 1.00 0.00 H new ATOM 0 HE ARG A 79 -28.178 -10.436 -1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -29.627 -12.724 0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -30.816 -11.896 1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -30.515 -8.858 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -31.314 -9.726 0.766 1.00 0.00 H new TER 1179 ARG A 79