USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 708 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 64 ASN : amide:sc= -1.03 K(o=-1,f=-0.12) USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 119:sc= 0.511 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-0.48) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 43:sc= -0.157 USER MOD Single : A 34 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.3) USER MOD Single : A 41 SER OG : rot 180:sc= -0.244 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -106:sc= 0.196 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -75:sc= 1.04 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -52:sc= 0.123 USER MOD Single : A 71 THR OG1 : rot 141:sc= 0.16 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -39:sc= 1.1 USER MOD Single : A 82 SER OG : rot 180:sc= 0.691 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -3.12 K(o=-3.1,f=-5.6!) USER MOD Single : A 88 MET CE :methyl -121:sc= -3.64! (180deg=-6.75!) USER MOD Single : A 89 MET CE :methyl -172:sc= -2.38 (180deg=-2.66) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc=-0.00788 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.280 1.940 -29.306 1.00 0.00 N ATOM 2 CA GLY A 1 -2.391 1.014 -28.625 1.00 0.00 C ATOM 3 C GLY A 1 -2.793 0.845 -27.158 1.00 0.00 C ATOM 4 O GLY A 1 -3.862 0.315 -26.861 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.986 2.037 -30.299 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.254 1.578 -29.267 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.237 2.869 -28.840 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.415 0.046 -29.126 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.365 1.378 -28.685 1.00 0.00 H new ATOM 8 N SER A 2 -1.915 1.307 -26.280 1.00 0.00 N ATOM 9 CA SER A 2 -2.166 1.215 -24.852 1.00 0.00 C ATOM 10 C SER A 2 -2.247 -0.254 -24.429 1.00 0.00 C ATOM 11 O SER A 2 -2.718 -1.097 -25.190 1.00 0.00 O ATOM 12 CB SER A 2 -3.453 1.949 -24.469 1.00 0.00 C ATOM 13 OG SER A 2 -3.398 3.332 -24.806 1.00 0.00 O ATOM 0 H SER A 2 -1.029 1.746 -26.530 1.00 0.00 H new ATOM 0 HA SER A 2 -1.338 1.693 -24.328 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.299 1.486 -24.976 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.626 1.843 -23.398 1.00 0.00 H new ATOM 0 HG SER A 2 -4.238 3.765 -24.548 1.00 0.00 H new ATOM 19 N SER A 3 -1.780 -0.514 -23.216 1.00 0.00 N ATOM 20 CA SER A 3 -1.793 -1.865 -22.683 1.00 0.00 C ATOM 21 C SER A 3 -3.189 -2.207 -22.158 1.00 0.00 C ATOM 22 O SER A 3 -4.041 -1.328 -22.032 1.00 0.00 O ATOM 23 CB SER A 3 -0.754 -2.030 -21.573 1.00 0.00 C ATOM 24 OG SER A 3 -1.006 -1.160 -20.473 1.00 0.00 O ATOM 0 H SER A 3 -1.390 0.189 -22.588 1.00 0.00 H new ATOM 0 HA SER A 3 -1.536 -2.552 -23.489 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.755 -3.063 -21.226 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.240 -1.830 -21.974 1.00 0.00 H new ATOM 0 HG SER A 3 -0.322 -1.297 -19.785 1.00 0.00 H new ATOM 30 N GLY A 4 -3.380 -3.485 -21.866 1.00 0.00 N ATOM 31 CA GLY A 4 -4.658 -3.953 -21.358 1.00 0.00 C ATOM 32 C GLY A 4 -4.916 -5.403 -21.775 1.00 0.00 C ATOM 33 O GLY A 4 -4.017 -6.078 -22.274 1.00 0.00 O ATOM 0 H GLY A 4 -2.671 -4.211 -21.972 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.672 -3.876 -20.271 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.458 -3.315 -21.733 1.00 0.00 H new ATOM 37 N SER A 5 -6.148 -5.838 -21.554 1.00 0.00 N ATOM 38 CA SER A 5 -6.535 -7.195 -21.900 1.00 0.00 C ATOM 39 C SER A 5 -5.684 -8.198 -21.118 1.00 0.00 C ATOM 40 O SER A 5 -4.535 -7.914 -20.784 1.00 0.00 O ATOM 41 CB SER A 5 -6.397 -7.441 -23.404 1.00 0.00 C ATOM 42 OG SER A 5 -7.557 -7.030 -24.121 1.00 0.00 O ATOM 0 H SER A 5 -6.891 -5.275 -21.140 1.00 0.00 H new ATOM 0 HA SER A 5 -7.583 -7.330 -21.632 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.528 -6.902 -23.781 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.217 -8.501 -23.583 1.00 0.00 H new ATOM 0 HG SER A 5 -7.429 -7.202 -25.077 1.00 0.00 H new ATOM 48 N SER A 6 -6.282 -9.349 -20.849 1.00 0.00 N ATOM 49 CA SER A 6 -5.594 -10.395 -20.112 1.00 0.00 C ATOM 50 C SER A 6 -6.500 -11.620 -19.971 1.00 0.00 C ATOM 51 O SER A 6 -7.719 -11.511 -20.095 1.00 0.00 O ATOM 52 CB SER A 6 -5.153 -9.900 -18.733 1.00 0.00 C ATOM 53 OG SER A 6 -6.251 -9.777 -17.834 1.00 0.00 O ATOM 0 H SER A 6 -7.235 -9.580 -21.128 1.00 0.00 H new ATOM 0 HA SER A 6 -4.701 -10.674 -20.671 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.420 -10.591 -18.317 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.658 -8.934 -18.836 1.00 0.00 H new ATOM 0 HG SER A 6 -6.117 -10.376 -17.070 1.00 0.00 H new ATOM 59 N GLY A 7 -5.870 -12.756 -19.713 1.00 0.00 N ATOM 60 CA GLY A 7 -6.605 -14.000 -19.554 1.00 0.00 C ATOM 61 C GLY A 7 -6.204 -14.712 -18.260 1.00 0.00 C ATOM 62 O GLY A 7 -5.019 -14.915 -18.001 1.00 0.00 O ATOM 0 H GLY A 7 -4.859 -12.842 -19.610 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.676 -13.795 -19.544 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.413 -14.652 -20.406 1.00 0.00 H new ATOM 66 N SER A 8 -7.215 -15.071 -17.483 1.00 0.00 N ATOM 67 CA SER A 8 -6.983 -15.756 -16.222 1.00 0.00 C ATOM 68 C SER A 8 -6.421 -14.776 -15.190 1.00 0.00 C ATOM 69 O SER A 8 -7.030 -14.551 -14.146 1.00 0.00 O ATOM 70 CB SER A 8 -6.030 -16.939 -16.405 1.00 0.00 C ATOM 71 OG SER A 8 -6.375 -17.732 -17.538 1.00 0.00 O ATOM 0 H SER A 8 -8.197 -14.901 -17.702 1.00 0.00 H new ATOM 0 HA SER A 8 -7.936 -16.145 -15.863 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.011 -16.569 -16.518 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.047 -17.560 -15.509 1.00 0.00 H new ATOM 0 HG SER A 8 -5.742 -18.476 -17.622 1.00 0.00 H new ATOM 77 N ASP A 9 -5.264 -14.220 -15.519 1.00 0.00 N ATOM 78 CA ASP A 9 -4.613 -13.269 -14.634 1.00 0.00 C ATOM 79 C ASP A 9 -5.517 -12.049 -14.448 1.00 0.00 C ATOM 80 O ASP A 9 -6.050 -11.514 -15.419 1.00 0.00 O ATOM 81 CB ASP A 9 -3.285 -12.789 -15.223 1.00 0.00 C ATOM 82 CG ASP A 9 -2.346 -13.901 -15.695 1.00 0.00 C ATOM 83 OD1 ASP A 9 -2.820 -14.745 -16.486 1.00 0.00 O ATOM 84 OD2 ASP A 9 -1.177 -13.882 -15.254 1.00 0.00 O ATOM 0 H ASP A 9 -4.761 -14.410 -16.386 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.427 -13.767 -13.683 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.496 -12.130 -16.066 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.767 -12.191 -14.473 1.00 0.00 H new ATOM 89 N ILE A 10 -5.662 -11.646 -13.194 1.00 0.00 N ATOM 90 CA ILE A 10 -6.492 -10.499 -12.869 1.00 0.00 C ATOM 91 C ILE A 10 -5.737 -9.586 -11.901 1.00 0.00 C ATOM 92 O ILE A 10 -4.808 -10.025 -11.225 1.00 0.00 O ATOM 93 CB ILE A 10 -7.856 -10.955 -12.346 1.00 0.00 C ATOM 94 CG1 ILE A 10 -8.602 -11.774 -13.402 1.00 0.00 C ATOM 95 CG2 ILE A 10 -8.682 -9.765 -11.855 1.00 0.00 C ATOM 96 CD1 ILE A 10 -10.111 -11.543 -13.309 1.00 0.00 C ATOM 0 H ILE A 10 -5.219 -12.093 -12.392 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.699 -9.913 -13.765 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.692 -11.608 -11.489 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.249 -11.500 -14.396 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.384 -12.833 -13.267 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.646 -10.118 -11.489 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.150 -9.261 -11.048 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.839 -9.067 -12.677 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.618 -12.136 -14.070 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.465 -11.841 -12.322 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.328 -10.487 -13.469 1.00 0.00 H new ATOM 108 N ILE A 11 -6.164 -8.332 -11.865 1.00 0.00 N ATOM 109 CA ILE A 11 -5.540 -7.353 -10.991 1.00 0.00 C ATOM 110 C ILE A 11 -6.360 -7.227 -9.706 1.00 0.00 C ATOM 111 O ILE A 11 -7.579 -7.389 -9.725 1.00 0.00 O ATOM 112 CB ILE A 11 -5.342 -6.027 -11.727 1.00 0.00 C ATOM 113 CG1 ILE A 11 -4.226 -6.138 -12.768 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.093 -4.884 -10.741 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.864 -5.818 -12.149 1.00 0.00 C ATOM 0 H ILE A 11 -6.935 -7.971 -12.427 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.542 -7.682 -10.701 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.262 -5.795 -12.264 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.212 -7.145 -13.185 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.424 -5.454 -13.593 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.956 -3.953 -11.291 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.948 -4.788 -10.072 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.198 -5.096 -10.157 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.089 -5.904 -12.910 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.873 -4.802 -11.754 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.658 -6.519 -11.340 1.00 0.00 H new ATOM 127 N HIS A 12 -5.658 -6.938 -8.620 1.00 0.00 N ATOM 128 CA HIS A 12 -6.306 -6.788 -7.328 1.00 0.00 C ATOM 129 C HIS A 12 -6.260 -5.320 -6.898 1.00 0.00 C ATOM 130 O HIS A 12 -5.198 -4.700 -6.906 1.00 0.00 O ATOM 131 CB HIS A 12 -5.682 -7.728 -6.295 1.00 0.00 C ATOM 132 CG HIS A 12 -5.744 -9.188 -6.676 1.00 0.00 C ATOM 133 ND1 HIS A 12 -6.045 -10.188 -5.768 1.00 0.00 N ATOM 134 CD2 HIS A 12 -5.541 -9.805 -7.876 1.00 0.00 C ATOM 135 CE1 HIS A 12 -6.020 -11.351 -6.403 1.00 0.00 C ATOM 136 NE2 HIS A 12 -5.707 -11.111 -7.709 1.00 0.00 N ATOM 0 H HIS A 12 -4.647 -6.804 -8.608 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.355 -7.075 -7.408 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.640 -7.446 -6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.190 -7.590 -5.340 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -6.251 -10.053 -4.778 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.288 -9.314 -8.804 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.213 -12.319 -5.964 1.00 0.00 H new ATOM 144 N SER A 13 -7.426 -4.807 -6.533 1.00 0.00 N ATOM 145 CA SER A 13 -7.533 -3.424 -6.101 1.00 0.00 C ATOM 146 C SER A 13 -7.602 -3.357 -4.574 1.00 0.00 C ATOM 147 O SER A 13 -8.396 -4.063 -3.954 1.00 0.00 O ATOM 148 CB SER A 13 -8.758 -2.747 -6.719 1.00 0.00 C ATOM 149 OG SER A 13 -9.779 -3.686 -7.046 1.00 0.00 O ATOM 0 H SER A 13 -8.305 -5.325 -6.528 1.00 0.00 H new ATOM 0 HA SER A 13 -6.646 -2.889 -6.442 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.154 -2.009 -6.022 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.459 -2.208 -7.618 1.00 0.00 H new ATOM 0 HG SER A 13 -10.544 -3.214 -7.436 1.00 0.00 H new ATOM 155 N VAL A 14 -6.761 -2.501 -4.013 1.00 0.00 N ATOM 156 CA VAL A 14 -6.717 -2.333 -2.570 1.00 0.00 C ATOM 157 C VAL A 14 -6.388 -0.875 -2.241 1.00 0.00 C ATOM 158 O VAL A 14 -5.674 -0.211 -2.991 1.00 0.00 O ATOM 159 CB VAL A 14 -5.724 -3.322 -1.958 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.373 -3.257 -2.674 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.561 -3.077 -0.456 1.00 0.00 C ATOM 0 H VAL A 14 -6.105 -1.917 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.689 -2.555 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.126 -4.326 -2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.685 -3.970 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.507 -3.504 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.963 -2.251 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.850 -3.794 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.193 -2.065 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.525 -3.198 0.039 1.00 0.00 H new ATOM 171 N ARG A 15 -6.926 -0.419 -1.119 1.00 0.00 N ATOM 172 CA ARG A 15 -6.699 0.948 -0.682 1.00 0.00 C ATOM 173 C ARG A 15 -6.268 0.971 0.786 1.00 0.00 C ATOM 174 O ARG A 15 -7.082 0.741 1.679 1.00 0.00 O ATOM 175 CB ARG A 15 -7.961 1.796 -0.849 1.00 0.00 C ATOM 176 CG ARG A 15 -8.369 1.890 -2.321 1.00 0.00 C ATOM 177 CD ARG A 15 -9.840 2.286 -2.458 1.00 0.00 C ATOM 178 NE ARG A 15 -10.531 1.355 -3.378 1.00 0.00 N ATOM 179 CZ ARG A 15 -11.047 0.176 -3.005 1.00 0.00 C ATOM 180 NH1 ARG A 15 -10.954 -0.223 -1.729 1.00 0.00 N ATOM 181 NH2 ARG A 15 -11.657 -0.604 -3.908 1.00 0.00 N ATOM 0 H ARG A 15 -7.518 -0.972 -0.500 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.908 1.368 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.775 1.361 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.786 2.796 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.743 2.623 -2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.200 0.931 -2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.322 2.269 -1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.917 3.306 -2.834 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.620 1.628 -4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.490 0.371 -1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.347 -1.121 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.728 -0.300 -4.879 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.050 -1.502 -3.624 1.00 0.00 H new ATOM 195 N VAL A 16 -4.989 1.249 0.989 1.00 0.00 N ATOM 196 CA VAL A 16 -4.439 1.305 2.333 1.00 0.00 C ATOM 197 C VAL A 16 -4.389 2.762 2.799 1.00 0.00 C ATOM 198 O VAL A 16 -4.285 3.675 1.982 1.00 0.00 O ATOM 199 CB VAL A 16 -3.073 0.619 2.369 1.00 0.00 C ATOM 200 CG1 VAL A 16 -2.434 0.740 3.754 1.00 0.00 C ATOM 201 CG2 VAL A 16 -3.184 -0.847 1.943 1.00 0.00 C ATOM 0 H VAL A 16 -4.317 1.438 0.245 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.078 0.763 3.030 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.425 1.128 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.464 0.244 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.302 1.793 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.080 0.270 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.199 -1.312 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.857 -1.373 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.576 -0.902 0.927 1.00 0.00 H new ATOM 211 N GLU A 17 -4.465 2.933 4.110 1.00 0.00 N ATOM 212 CA GLU A 17 -4.429 4.263 4.694 1.00 0.00 C ATOM 213 C GLU A 17 -3.172 4.434 5.550 1.00 0.00 C ATOM 214 O GLU A 17 -2.682 3.472 6.139 1.00 0.00 O ATOM 215 CB GLU A 17 -5.691 4.536 5.515 1.00 0.00 C ATOM 216 CG GLU A 17 -6.886 4.826 4.603 1.00 0.00 C ATOM 217 CD GLU A 17 -8.045 5.435 5.395 1.00 0.00 C ATOM 218 OE1 GLU A 17 -7.751 6.257 6.289 1.00 0.00 O ATOM 219 OE2 GLU A 17 -9.198 5.064 5.088 1.00 0.00 O ATOM 0 H GLU A 17 -4.551 2.173 4.785 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.396 4.992 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.911 3.676 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.521 5.384 6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.585 5.509 3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.214 3.904 4.123 1.00 0.00 H new ATOM 226 N LYS A 18 -2.685 5.666 5.591 1.00 0.00 N ATOM 227 CA LYS A 18 -1.495 5.975 6.364 1.00 0.00 C ATOM 228 C LYS A 18 -1.841 5.957 7.855 1.00 0.00 C ATOM 229 O LYS A 18 -2.867 6.499 8.263 1.00 0.00 O ATOM 230 CB LYS A 18 -0.876 7.292 5.892 1.00 0.00 C ATOM 231 CG LYS A 18 -1.660 8.490 6.431 1.00 0.00 C ATOM 232 CD LYS A 18 -1.270 9.775 5.697 1.00 0.00 C ATOM 233 CE LYS A 18 -0.199 10.545 6.471 1.00 0.00 C ATOM 234 NZ LYS A 18 -0.825 11.454 7.458 1.00 0.00 N ATOM 0 H LYS A 18 -3.094 6.462 5.101 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.730 5.215 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.160 7.351 6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.863 7.322 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.729 8.311 6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.469 8.604 7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.899 9.531 4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.150 10.404 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.463 9.845 6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.416 11.119 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.084 11.969 7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.438 12.133 6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.393 10.899 8.129 1.00 0.00 H new ATOM 248 N SER A 19 -0.966 5.329 8.626 1.00 0.00 N ATOM 249 CA SER A 19 -1.166 5.234 10.062 1.00 0.00 C ATOM 250 C SER A 19 -0.073 6.012 10.795 1.00 0.00 C ATOM 251 O SER A 19 1.043 6.144 10.294 1.00 0.00 O ATOM 252 CB SER A 19 -1.178 3.775 10.521 1.00 0.00 C ATOM 253 OG SER A 19 0.061 3.122 10.258 1.00 0.00 O ATOM 0 H SER A 19 -0.116 4.881 8.283 1.00 0.00 H new ATOM 0 HA SER A 19 -2.136 5.670 10.302 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.390 3.733 11.589 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.983 3.242 10.015 1.00 0.00 H new ATOM 0 HG SER A 19 0.013 2.193 10.567 1.00 0.00 H new ATOM 259 N PRO A 20 -0.440 6.521 12.002 1.00 0.00 N ATOM 260 CA PRO A 20 0.498 7.283 12.810 1.00 0.00 C ATOM 261 C PRO A 20 1.525 6.363 13.471 1.00 0.00 C ATOM 262 O PRO A 20 1.642 6.335 14.696 1.00 0.00 O ATOM 263 CB PRO A 20 -0.365 8.030 13.814 1.00 0.00 C ATOM 264 CG PRO A 20 -1.701 7.306 13.835 1.00 0.00 C ATOM 265 CD PRO A 20 -1.752 6.385 12.627 1.00 0.00 C ATOM 0 HA PRO A 20 1.093 7.980 12.220 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.095 8.029 14.802 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.490 9.073 13.522 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.810 6.734 14.756 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.523 8.021 13.805 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.945 5.354 12.923 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.549 6.674 11.942 1.00 0.00 H new ATOM 273 N ALA A 21 2.244 5.631 12.633 1.00 0.00 N ATOM 274 CA ALA A 21 3.258 4.712 13.121 1.00 0.00 C ATOM 275 C ALA A 21 4.576 4.978 12.390 1.00 0.00 C ATOM 276 O ALA A 21 5.581 5.310 13.016 1.00 0.00 O ATOM 277 CB ALA A 21 2.772 3.273 12.942 1.00 0.00 C ATOM 0 H ALA A 21 2.144 5.656 11.618 1.00 0.00 H new ATOM 0 HA ALA A 21 3.435 4.866 14.186 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.533 2.584 13.308 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.850 3.128 13.505 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.586 3.080 11.885 1.00 0.00 H new ATOM 283 N GLY A 22 4.528 4.821 11.075 1.00 0.00 N ATOM 284 CA GLY A 22 5.705 5.039 10.252 1.00 0.00 C ATOM 285 C GLY A 22 5.707 4.106 9.039 1.00 0.00 C ATOM 286 O GLY A 22 5.082 4.403 8.023 1.00 0.00 O ATOM 0 H GLY A 22 3.692 4.545 10.559 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.732 6.076 9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.604 4.872 10.845 1.00 0.00 H new ATOM 290 N ARG A 23 6.418 2.998 9.187 1.00 0.00 N ATOM 291 CA ARG A 23 6.510 2.020 8.116 1.00 0.00 C ATOM 292 C ARG A 23 5.114 1.530 7.723 1.00 0.00 C ATOM 293 O ARG A 23 4.179 1.608 8.518 1.00 0.00 O ATOM 294 CB ARG A 23 7.364 0.822 8.536 1.00 0.00 C ATOM 295 CG ARG A 23 8.583 0.671 7.624 1.00 0.00 C ATOM 296 CD ARG A 23 9.873 0.589 8.442 1.00 0.00 C ATOM 297 NE ARG A 23 10.890 1.503 7.876 1.00 0.00 N ATOM 298 CZ ARG A 23 10.732 2.829 7.770 1.00 0.00 C ATOM 299 NH1 ARG A 23 9.597 3.405 8.191 1.00 0.00 N ATOM 300 NH2 ARG A 23 11.709 3.581 7.243 1.00 0.00 N ATOM 0 H ARG A 23 6.936 2.756 10.032 1.00 0.00 H new ATOM 0 HA ARG A 23 6.982 2.507 7.262 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.691 0.948 9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.764 -0.087 8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.477 -0.227 7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.636 1.517 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.672 0.853 9.480 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.250 -0.434 8.440 1.00 0.00 H new ATOM 0 HE ARG A 23 11.766 1.098 7.546 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.853 2.834 8.592 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.477 4.415 8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.573 3.143 6.923 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.588 4.591 7.162 1.00 0.00 H new ATOM 314 N LEU A 24 5.019 1.037 6.498 1.00 0.00 N ATOM 315 CA LEU A 24 3.753 0.534 5.990 1.00 0.00 C ATOM 316 C LEU A 24 3.227 -0.552 6.930 1.00 0.00 C ATOM 317 O LEU A 24 4.001 -1.197 7.635 1.00 0.00 O ATOM 318 CB LEU A 24 3.904 0.072 4.539 1.00 0.00 C ATOM 319 CG LEU A 24 3.668 1.139 3.468 1.00 0.00 C ATOM 320 CD1 LEU A 24 2.447 1.996 3.806 1.00 0.00 C ATOM 321 CD2 LEU A 24 4.923 1.988 3.255 1.00 0.00 C ATOM 0 H LEU A 24 5.797 0.975 5.842 1.00 0.00 H new ATOM 0 HA LEU A 24 3.007 1.328 5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.909 -0.329 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.208 -0.749 4.366 1.00 0.00 H new ATOM 0 HG LEU A 24 3.456 0.635 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.302 2.746 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.563 1.362 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.604 2.492 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.729 2.739 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.190 2.483 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.745 1.348 2.935 1.00 0.00 H new ATOM 333 N GLY A 25 1.913 -0.721 6.909 1.00 0.00 N ATOM 334 CA GLY A 25 1.273 -1.718 7.751 1.00 0.00 C ATOM 335 C GLY A 25 1.651 -3.133 7.308 1.00 0.00 C ATOM 336 O GLY A 25 1.363 -4.104 8.007 1.00 0.00 O ATOM 0 H GLY A 25 1.274 -0.184 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.569 -1.567 8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.191 -1.596 7.707 1.00 0.00 H new ATOM 340 N PHE A 26 2.290 -3.206 6.150 1.00 0.00 N ATOM 341 CA PHE A 26 2.710 -4.486 5.605 1.00 0.00 C ATOM 342 C PHE A 26 4.212 -4.491 5.314 1.00 0.00 C ATOM 343 O PHE A 26 4.787 -3.457 4.978 1.00 0.00 O ATOM 344 CB PHE A 26 1.948 -4.686 4.294 1.00 0.00 C ATOM 345 CG PHE A 26 1.938 -3.454 3.386 1.00 0.00 C ATOM 346 CD1 PHE A 26 2.987 -3.214 2.554 1.00 0.00 C ATOM 347 CD2 PHE A 26 0.880 -2.600 3.410 1.00 0.00 C ATOM 348 CE1 PHE A 26 2.977 -2.071 1.711 1.00 0.00 C ATOM 349 CE2 PHE A 26 0.870 -1.457 2.568 1.00 0.00 C ATOM 350 CZ PHE A 26 1.919 -1.217 1.736 1.00 0.00 C ATOM 0 H PHE A 26 2.527 -2.399 5.573 1.00 0.00 H new ATOM 0 HA PHE A 26 2.503 -5.281 6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.392 -5.521 3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.919 -4.965 4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.827 -3.892 2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.047 -2.791 4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.810 -1.880 1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.030 -0.778 2.588 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.912 -0.348 1.095 1.00 0.00 H new ATOM 360 N SER A 27 4.806 -5.668 5.455 1.00 0.00 N ATOM 361 CA SER A 27 6.230 -5.822 5.211 1.00 0.00 C ATOM 362 C SER A 27 6.472 -6.205 3.750 1.00 0.00 C ATOM 363 O SER A 27 5.849 -7.133 3.237 1.00 0.00 O ATOM 364 CB SER A 27 6.838 -6.871 6.143 1.00 0.00 C ATOM 365 OG SER A 27 8.165 -6.532 6.535 1.00 0.00 O ATOM 0 H SER A 27 4.326 -6.524 5.735 1.00 0.00 H new ATOM 0 HA SER A 27 6.717 -4.869 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.213 -6.974 7.030 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.844 -7.840 5.644 1.00 0.00 H new ATOM 0 HG SER A 27 8.517 -7.226 7.131 1.00 0.00 H new ATOM 371 N VAL A 28 7.379 -5.472 3.121 1.00 0.00 N ATOM 372 CA VAL A 28 7.711 -5.724 1.730 1.00 0.00 C ATOM 373 C VAL A 28 9.135 -6.278 1.642 1.00 0.00 C ATOM 374 O VAL A 28 9.932 -6.101 2.562 1.00 0.00 O ATOM 375 CB VAL A 28 7.514 -4.450 0.906 1.00 0.00 C ATOM 376 CG1 VAL A 28 6.030 -4.195 0.636 1.00 0.00 C ATOM 377 CG2 VAL A 28 8.161 -3.246 1.594 1.00 0.00 C ATOM 0 H VAL A 28 7.894 -4.703 3.550 1.00 0.00 H new ATOM 0 HA VAL A 28 7.043 -6.475 1.308 1.00 0.00 H new ATOM 0 HB VAL A 28 8.009 -4.593 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.918 -3.284 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.611 -5.036 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.502 -4.083 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.006 -2.354 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.708 -3.101 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.230 -3.425 1.711 1.00 0.00 H new ATOM 387 N ARG A 29 9.411 -6.938 0.527 1.00 0.00 N ATOM 388 CA ARG A 29 10.724 -7.520 0.307 1.00 0.00 C ATOM 389 C ARG A 29 11.219 -7.196 -1.104 1.00 0.00 C ATOM 390 O ARG A 29 10.418 -6.972 -2.010 1.00 0.00 O ATOM 391 CB ARG A 29 10.693 -9.038 0.493 1.00 0.00 C ATOM 392 CG ARG A 29 9.742 -9.694 -0.511 1.00 0.00 C ATOM 393 CD ARG A 29 10.186 -11.122 -0.834 1.00 0.00 C ATOM 394 NE ARG A 29 9.989 -11.400 -2.274 1.00 0.00 N ATOM 395 CZ ARG A 29 10.528 -12.443 -2.919 1.00 0.00 C ATOM 396 NH1 ARG A 29 11.300 -13.314 -2.256 1.00 0.00 N ATOM 397 NH2 ARG A 29 10.294 -12.616 -4.227 1.00 0.00 N ATOM 0 H ARG A 29 8.747 -7.083 -0.234 1.00 0.00 H new ATOM 0 HA ARG A 29 11.404 -7.090 1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.697 -9.444 0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.377 -9.277 1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.731 -9.707 -0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.710 -9.103 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.235 -11.254 -0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.615 -11.833 -0.237 1.00 0.00 H new ATOM 0 HE ARG A 29 9.406 -10.757 -2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.477 -13.183 -1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.710 -14.108 -2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.705 -11.953 -4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.705 -13.410 -4.718 1.00 0.00 H new ATOM 411 N GLY A 30 12.536 -7.181 -1.246 1.00 0.00 N ATOM 412 CA GLY A 30 13.147 -6.888 -2.531 1.00 0.00 C ATOM 413 C GLY A 30 13.865 -5.538 -2.502 1.00 0.00 C ATOM 414 O GLY A 30 14.284 -5.076 -1.442 1.00 0.00 O ATOM 0 H GLY A 30 13.197 -7.367 -0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.856 -7.675 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.382 -6.881 -3.308 1.00 0.00 H new ATOM 418 N GLY A 31 13.985 -4.942 -3.680 1.00 0.00 N ATOM 419 CA GLY A 31 14.646 -3.654 -3.803 1.00 0.00 C ATOM 420 C GLY A 31 14.497 -3.094 -5.219 1.00 0.00 C ATOM 421 O GLY A 31 13.394 -2.751 -5.642 1.00 0.00 O ATOM 0 H GLY A 31 13.636 -5.328 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.221 -2.953 -3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.703 -3.759 -3.559 1.00 0.00 H new ATOM 425 N SER A 32 15.623 -3.019 -5.912 1.00 0.00 N ATOM 426 CA SER A 32 15.632 -2.507 -7.272 1.00 0.00 C ATOM 427 C SER A 32 17.009 -2.723 -7.904 1.00 0.00 C ATOM 428 O SER A 32 17.970 -2.039 -7.555 1.00 0.00 O ATOM 429 CB SER A 32 15.260 -1.024 -7.305 1.00 0.00 C ATOM 430 OG SER A 32 16.016 -0.263 -6.366 1.00 0.00 O ATOM 0 H SER A 32 16.536 -3.304 -5.558 1.00 0.00 H new ATOM 0 HA SER A 32 14.885 -3.054 -7.848 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.426 -0.631 -8.308 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.197 -0.912 -7.091 1.00 0.00 H new ATOM 0 HG SER A 32 16.952 -0.551 -6.390 1.00 0.00 H new ATOM 436 N GLU A 33 17.061 -3.678 -8.821 1.00 0.00 N ATOM 437 CA GLU A 33 18.304 -3.992 -9.504 1.00 0.00 C ATOM 438 C GLU A 33 18.085 -5.124 -10.511 1.00 0.00 C ATOM 439 O GLU A 33 18.563 -5.054 -11.642 1.00 0.00 O ATOM 440 CB GLU A 33 19.404 -4.354 -8.503 1.00 0.00 C ATOM 441 CG GLU A 33 20.777 -3.918 -9.017 1.00 0.00 C ATOM 442 CD GLU A 33 21.625 -3.334 -7.885 1.00 0.00 C ATOM 443 OE1 GLU A 33 21.140 -2.372 -7.251 1.00 0.00 O ATOM 444 OE2 GLU A 33 22.739 -3.862 -7.680 1.00 0.00 O ATOM 0 H GLU A 33 16.262 -4.244 -9.107 1.00 0.00 H new ATOM 0 HA GLU A 33 18.631 -3.106 -10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 33 19.201 -3.875 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 33 19.402 -5.430 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 33 21.292 -4.771 -9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 33 20.655 -3.175 -9.806 1.00 0.00 H new ATOM 451 N HIS A 34 17.362 -6.140 -10.063 1.00 0.00 N ATOM 452 CA HIS A 34 17.074 -7.284 -10.910 1.00 0.00 C ATOM 453 C HIS A 34 15.938 -6.936 -11.874 1.00 0.00 C ATOM 454 O HIS A 34 15.955 -7.348 -13.033 1.00 0.00 O ATOM 455 CB HIS A 34 16.776 -8.524 -10.065 1.00 0.00 C ATOM 456 CG HIS A 34 17.740 -9.665 -10.286 1.00 0.00 C ATOM 457 ND1 HIS A 34 17.456 -10.969 -9.921 1.00 0.00 N ATOM 458 CD2 HIS A 34 18.987 -9.683 -10.839 1.00 0.00 C ATOM 459 CE1 HIS A 34 18.492 -11.729 -10.243 1.00 0.00 C ATOM 460 NE2 HIS A 34 19.440 -10.930 -10.811 1.00 0.00 N ATOM 0 H HIS A 34 16.967 -6.194 -9.124 1.00 0.00 H new ATOM 0 HA HIS A 34 17.951 -7.527 -11.510 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.794 -8.246 -9.011 1.00 0.00 H new ATOM 0 HB3 HIS A 34 15.766 -8.868 -10.287 1.00 0.00 H new ATOM 0 HD2 HIS A 34 19.516 -8.828 -11.233 1.00 0.00 H new ATOM 0 HE1 HIS A 34 18.572 -12.794 -10.084 1.00 0.00 H new ATOM 0 HE2 HIS A 34 20.348 -11.240 -11.157 1.00 0.00 H new ATOM 468 N GLY A 35 14.978 -6.182 -11.359 1.00 0.00 N ATOM 469 CA GLY A 35 13.837 -5.773 -12.160 1.00 0.00 C ATOM 470 C GLY A 35 12.600 -6.607 -11.817 1.00 0.00 C ATOM 471 O GLY A 35 12.000 -7.223 -12.696 1.00 0.00 O ATOM 0 H GLY A 35 14.967 -5.844 -10.397 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.627 -4.717 -11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.073 -5.883 -13.218 1.00 0.00 H new ATOM 475 N LEU A 36 12.257 -6.599 -10.537 1.00 0.00 N ATOM 476 CA LEU A 36 11.103 -7.347 -10.067 1.00 0.00 C ATOM 477 C LEU A 36 10.064 -6.374 -9.508 1.00 0.00 C ATOM 478 O LEU A 36 8.864 -6.563 -9.701 1.00 0.00 O ATOM 479 CB LEU A 36 11.534 -8.426 -9.071 1.00 0.00 C ATOM 480 CG LEU A 36 12.298 -7.936 -7.840 1.00 0.00 C ATOM 481 CD1 LEU A 36 11.344 -7.650 -6.679 1.00 0.00 C ATOM 482 CD2 LEU A 36 13.398 -8.925 -7.448 1.00 0.00 C ATOM 0 H LEU A 36 12.758 -6.087 -9.811 1.00 0.00 H new ATOM 0 HA LEU A 36 10.631 -7.879 -10.893 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.644 -8.957 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.157 -9.149 -9.597 1.00 0.00 H new ATOM 0 HG LEU A 36 12.786 -6.995 -8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.914 -7.303 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.630 -6.881 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.807 -8.561 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.926 -8.553 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.952 -9.893 -7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.100 -9.034 -8.274 1.00 0.00 H new ATOM 494 N GLY A 37 10.562 -5.353 -8.827 1.00 0.00 N ATOM 495 CA GLY A 37 9.691 -4.349 -8.238 1.00 0.00 C ATOM 496 C GLY A 37 9.575 -4.543 -6.725 1.00 0.00 C ATOM 497 O GLY A 37 10.556 -4.871 -6.061 1.00 0.00 O ATOM 0 H GLY A 37 11.558 -5.199 -8.670 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.081 -3.354 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.702 -4.408 -8.693 1.00 0.00 H new ATOM 501 N ILE A 38 8.366 -4.332 -6.224 1.00 0.00 N ATOM 502 CA ILE A 38 8.109 -4.479 -4.802 1.00 0.00 C ATOM 503 C ILE A 38 7.219 -5.701 -4.573 1.00 0.00 C ATOM 504 O ILE A 38 6.293 -5.953 -5.343 1.00 0.00 O ATOM 505 CB ILE A 38 7.536 -3.183 -4.224 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.413 -1.984 -4.591 1.00 0.00 C ATOM 507 CG2 ILE A 38 7.330 -3.301 -2.713 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.838 -2.166 -4.066 1.00 0.00 C ATOM 0 H ILE A 38 7.554 -4.060 -6.778 1.00 0.00 H new ATOM 0 HA ILE A 38 9.040 -4.657 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 38 6.556 -3.014 -4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.433 -1.862 -5.674 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.982 -1.073 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.922 -2.367 -2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.635 -4.114 -2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.286 -3.506 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.440 -1.300 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.816 -2.264 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.275 -3.064 -4.502 1.00 0.00 H new ATOM 520 N PHE A 39 7.529 -6.429 -3.510 1.00 0.00 N ATOM 521 CA PHE A 39 6.768 -7.619 -3.170 1.00 0.00 C ATOM 522 C PHE A 39 6.408 -7.633 -1.683 1.00 0.00 C ATOM 523 O PHE A 39 7.189 -7.182 -0.847 1.00 0.00 O ATOM 524 CB PHE A 39 7.660 -8.824 -3.478 1.00 0.00 C ATOM 525 CG PHE A 39 7.805 -9.125 -4.971 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.423 -8.230 -5.788 1.00 0.00 C ATOM 527 CD2 PHE A 39 7.317 -10.287 -5.481 1.00 0.00 C ATOM 528 CE1 PHE A 39 8.558 -8.510 -7.174 1.00 0.00 C ATOM 529 CE2 PHE A 39 7.452 -10.567 -6.866 1.00 0.00 C ATOM 530 CZ PHE A 39 8.069 -9.672 -7.684 1.00 0.00 C ATOM 0 H PHE A 39 8.297 -6.217 -2.873 1.00 0.00 H new ATOM 0 HA PHE A 39 5.840 -7.643 -3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.649 -8.648 -3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.252 -9.703 -2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.811 -7.307 -5.383 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.826 -10.997 -4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.049 -7.800 -7.823 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.065 -11.491 -7.270 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.170 -9.884 -8.738 1.00 0.00 H new ATOM 540 N VAL A 40 5.224 -8.156 -1.399 1.00 0.00 N ATOM 541 CA VAL A 40 4.751 -8.235 -0.027 1.00 0.00 C ATOM 542 C VAL A 40 5.297 -9.507 0.624 1.00 0.00 C ATOM 543 O VAL A 40 5.472 -10.525 -0.044 1.00 0.00 O ATOM 544 CB VAL A 40 3.223 -8.156 0.005 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.717 -7.895 1.425 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.709 -7.091 -0.966 1.00 0.00 C ATOM 0 H VAL A 40 4.578 -8.529 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 40 5.120 -7.389 0.553 1.00 0.00 H new ATOM 0 HB VAL A 40 2.830 -9.120 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.628 -7.843 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.039 -8.704 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.123 -6.951 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.620 -7.055 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.115 -6.119 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.025 -7.340 -1.979 1.00 0.00 H new ATOM 556 N SER A 41 5.553 -9.407 1.921 1.00 0.00 N ATOM 557 CA SER A 41 6.076 -10.536 2.670 1.00 0.00 C ATOM 558 C SER A 41 5.210 -10.791 3.905 1.00 0.00 C ATOM 559 O SER A 41 4.774 -11.917 4.141 1.00 0.00 O ATOM 560 CB SER A 41 7.530 -10.299 3.080 1.00 0.00 C ATOM 561 OG SER A 41 7.652 -10.007 4.470 1.00 0.00 O ATOM 0 H SER A 41 5.408 -8.561 2.472 1.00 0.00 H new ATOM 0 HA SER A 41 6.048 -11.416 2.027 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.122 -11.182 2.842 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.941 -9.473 2.499 1.00 0.00 H new ATOM 0 HG SER A 41 8.596 -9.864 4.693 1.00 0.00 H new ATOM 567 N LYS A 42 4.987 -9.727 4.662 1.00 0.00 N ATOM 568 CA LYS A 42 4.182 -9.821 5.867 1.00 0.00 C ATOM 569 C LYS A 42 3.117 -8.722 5.851 1.00 0.00 C ATOM 570 O LYS A 42 3.247 -7.738 5.125 1.00 0.00 O ATOM 571 CB LYS A 42 5.073 -9.796 7.111 1.00 0.00 C ATOM 572 CG LYS A 42 4.326 -10.336 8.332 1.00 0.00 C ATOM 573 CD LYS A 42 5.197 -11.319 9.117 1.00 0.00 C ATOM 574 CE LYS A 42 5.041 -11.107 10.624 1.00 0.00 C ATOM 575 NZ LYS A 42 4.187 -12.163 11.211 1.00 0.00 N ATOM 0 H LYS A 42 5.350 -8.795 4.464 1.00 0.00 H new ATOM 0 HA LYS A 42 3.656 -10.775 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.967 -10.393 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.404 -8.776 7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.032 -9.509 8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.410 -10.832 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.920 -12.341 8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.242 -11.191 8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.021 -11.116 11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.602 -10.128 10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.092 -12.004 12.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.247 -12.136 10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.621 -13.093 11.044 1.00 0.00 H new ATOM 589 N VAL A 43 2.089 -8.927 6.661 1.00 0.00 N ATOM 590 CA VAL A 43 1.002 -7.966 6.749 1.00 0.00 C ATOM 591 C VAL A 43 0.491 -7.911 8.190 1.00 0.00 C ATOM 592 O VAL A 43 -0.265 -8.782 8.618 1.00 0.00 O ATOM 593 CB VAL A 43 -0.092 -8.319 5.740 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.368 -7.521 6.013 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.395 -8.100 4.305 1.00 0.00 C ATOM 0 H VAL A 43 1.985 -9.744 7.262 1.00 0.00 H new ATOM 0 HA VAL A 43 1.354 -6.967 6.490 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.327 -9.377 5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.130 -7.791 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.731 -7.747 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.154 -6.455 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.401 -8.358 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.671 -7.054 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.263 -8.732 4.115 1.00 0.00 H new ATOM 605 N GLU A 44 0.924 -6.880 8.900 1.00 0.00 N ATOM 606 CA GLU A 44 0.520 -6.700 10.284 1.00 0.00 C ATOM 607 C GLU A 44 -0.976 -6.979 10.440 1.00 0.00 C ATOM 608 O GLU A 44 -1.792 -6.446 9.689 1.00 0.00 O ATOM 609 CB GLU A 44 0.871 -5.296 10.780 1.00 0.00 C ATOM 610 CG GLU A 44 1.534 -5.351 12.157 1.00 0.00 C ATOM 611 CD GLU A 44 0.513 -5.694 13.244 1.00 0.00 C ATOM 612 OE1 GLU A 44 -0.358 -4.834 13.496 1.00 0.00 O ATOM 613 OE2 GLU A 44 0.627 -6.809 13.798 1.00 0.00 O ATOM 0 H GLU A 44 1.551 -6.160 8.542 1.00 0.00 H new ATOM 0 HA GLU A 44 1.069 -7.414 10.898 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.541 -4.812 10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.032 -4.688 10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.329 -6.096 12.152 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.999 -4.390 12.380 1.00 0.00 H new ATOM 620 N GLU A 45 -1.291 -7.814 11.419 1.00 0.00 N ATOM 621 CA GLU A 45 -2.675 -8.170 11.683 1.00 0.00 C ATOM 622 C GLU A 45 -3.414 -6.991 12.319 1.00 0.00 C ATOM 623 O GLU A 45 -2.788 -6.072 12.844 1.00 0.00 O ATOM 624 CB GLU A 45 -2.762 -9.414 12.569 1.00 0.00 C ATOM 625 CG GLU A 45 -2.632 -9.044 14.048 1.00 0.00 C ATOM 626 CD GLU A 45 -2.303 -10.275 14.895 1.00 0.00 C ATOM 627 OE1 GLU A 45 -3.269 -10.938 15.331 1.00 0.00 O ATOM 628 OE2 GLU A 45 -1.093 -10.526 15.086 1.00 0.00 O ATOM 0 H GLU A 45 -0.612 -8.255 12.039 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.156 -8.406 10.734 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.712 -9.920 12.399 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.974 -10.116 12.295 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.851 -8.294 14.171 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.562 -8.596 14.397 1.00 0.00 H new ATOM 635 N GLY A 46 -4.736 -7.056 12.250 1.00 0.00 N ATOM 636 CA GLY A 46 -5.567 -6.005 12.813 1.00 0.00 C ATOM 637 C GLY A 46 -5.099 -4.626 12.344 1.00 0.00 C ATOM 638 O GLY A 46 -5.344 -3.623 13.012 1.00 0.00 O ATOM 0 H GLY A 46 -5.252 -7.820 11.813 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.605 -6.160 12.519 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.534 -6.054 13.901 1.00 0.00 H new ATOM 642 N SER A 47 -4.435 -4.620 11.197 1.00 0.00 N ATOM 643 CA SER A 47 -3.931 -3.381 10.631 1.00 0.00 C ATOM 644 C SER A 47 -4.877 -2.883 9.536 1.00 0.00 C ATOM 645 O SER A 47 -5.910 -3.498 9.276 1.00 0.00 O ATOM 646 CB SER A 47 -2.520 -3.565 10.069 1.00 0.00 C ATOM 647 OG SER A 47 -2.526 -3.735 8.655 1.00 0.00 O ATOM 0 H SER A 47 -4.235 -5.454 10.645 1.00 0.00 H new ATOM 0 HA SER A 47 -3.882 -2.637 11.426 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.911 -2.698 10.327 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.054 -4.433 10.536 1.00 0.00 H new ATOM 0 HG SER A 47 -2.341 -4.672 8.437 1.00 0.00 H new ATOM 653 N SER A 48 -4.490 -1.773 8.924 1.00 0.00 N ATOM 654 CA SER A 48 -5.291 -1.186 7.863 1.00 0.00 C ATOM 655 C SER A 48 -5.115 -1.986 6.571 1.00 0.00 C ATOM 656 O SER A 48 -6.052 -2.114 5.784 1.00 0.00 O ATOM 657 CB SER A 48 -4.914 0.279 7.636 1.00 0.00 C ATOM 658 OG SER A 48 -3.528 0.436 7.349 1.00 0.00 O ATOM 0 H SER A 48 -3.633 -1.265 9.143 1.00 0.00 H new ATOM 0 HA SER A 48 -6.338 -1.221 8.165 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.503 0.681 6.811 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.169 0.860 8.522 1.00 0.00 H new ATOM 0 HG SER A 48 -3.328 1.385 7.209 1.00 0.00 H new ATOM 664 N ALA A 49 -3.908 -2.502 6.392 1.00 0.00 N ATOM 665 CA ALA A 49 -3.598 -3.286 5.208 1.00 0.00 C ATOM 666 C ALA A 49 -4.445 -4.560 5.208 1.00 0.00 C ATOM 667 O ALA A 49 -5.313 -4.732 4.353 1.00 0.00 O ATOM 668 CB ALA A 49 -2.097 -3.584 5.172 1.00 0.00 C ATOM 0 H ALA A 49 -3.133 -2.393 7.046 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.842 -2.728 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.864 -4.172 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.541 -2.647 5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.816 -4.145 6.063 1.00 0.00 H new ATOM 674 N GLU A 50 -4.165 -5.419 6.177 1.00 0.00 N ATOM 675 CA GLU A 50 -4.891 -6.672 6.299 1.00 0.00 C ATOM 676 C GLU A 50 -6.390 -6.437 6.106 1.00 0.00 C ATOM 677 O GLU A 50 -7.104 -7.320 5.633 1.00 0.00 O ATOM 678 CB GLU A 50 -4.609 -7.339 7.647 1.00 0.00 C ATOM 679 CG GLU A 50 -4.306 -8.828 7.469 1.00 0.00 C ATOM 680 CD GLU A 50 -5.259 -9.685 8.305 1.00 0.00 C ATOM 681 OE1 GLU A 50 -6.468 -9.662 7.989 1.00 0.00 O ATOM 682 OE2 GLU A 50 -4.757 -10.345 9.240 1.00 0.00 O ATOM 0 H GLU A 50 -3.446 -5.272 6.885 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.546 -7.348 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.765 -6.848 8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.469 -7.215 8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.396 -9.098 6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.276 -9.031 7.763 1.00 0.00 H new ATOM 689 N ARG A 51 -6.823 -5.243 6.482 1.00 0.00 N ATOM 690 CA ARG A 51 -8.225 -4.881 6.356 1.00 0.00 C ATOM 691 C ARG A 51 -8.507 -4.328 4.958 1.00 0.00 C ATOM 692 O ARG A 51 -9.575 -4.566 4.396 1.00 0.00 O ATOM 693 CB ARG A 51 -8.620 -3.835 7.401 1.00 0.00 C ATOM 694 CG ARG A 51 -8.956 -4.497 8.739 1.00 0.00 C ATOM 695 CD ARG A 51 -10.119 -3.780 9.428 1.00 0.00 C ATOM 696 NE ARG A 51 -10.907 -4.745 10.226 1.00 0.00 N ATOM 697 CZ ARG A 51 -12.078 -4.457 10.812 1.00 0.00 C ATOM 698 NH1 ARG A 51 -12.603 -3.230 10.692 1.00 0.00 N ATOM 699 NH2 ARG A 51 -12.723 -5.396 11.517 1.00 0.00 N ATOM 0 H ARG A 51 -6.228 -4.513 6.874 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.816 -5.782 6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.804 -3.125 7.537 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.480 -3.267 7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.214 -5.543 8.577 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.079 -4.482 9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.738 -2.988 10.073 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.757 -3.305 8.683 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.536 -5.689 10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.112 -2.515 10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.494 -3.011 11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.323 -6.330 11.608 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.614 -5.177 11.963 1.00 0.00 H new ATOM 713 N ALA A 52 -7.530 -3.600 4.437 1.00 0.00 N ATOM 714 CA ALA A 52 -7.660 -3.011 3.115 1.00 0.00 C ATOM 715 C ALA A 52 -7.774 -4.125 2.073 1.00 0.00 C ATOM 716 O ALA A 52 -8.293 -3.907 0.980 1.00 0.00 O ATOM 717 CB ALA A 52 -6.471 -2.085 2.850 1.00 0.00 C ATOM 0 H ALA A 52 -6.646 -3.405 4.906 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.565 -2.407 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.568 -1.643 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.452 -1.294 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.545 -2.658 2.903 1.00 0.00 H new ATOM 723 N GLY A 53 -7.282 -5.296 2.450 1.00 0.00 N ATOM 724 CA GLY A 53 -7.323 -6.446 1.562 1.00 0.00 C ATOM 725 C GLY A 53 -5.913 -6.970 1.278 1.00 0.00 C ATOM 726 O GLY A 53 -5.751 -8.054 0.721 1.00 0.00 O ATOM 0 H GLY A 53 -6.853 -5.473 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.925 -7.236 2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.808 -6.170 0.626 1.00 0.00 H new ATOM 730 N LEU A 54 -4.930 -6.176 1.675 1.00 0.00 N ATOM 731 CA LEU A 54 -3.540 -6.546 1.471 1.00 0.00 C ATOM 732 C LEU A 54 -3.166 -7.664 2.446 1.00 0.00 C ATOM 733 O LEU A 54 -3.338 -7.521 3.655 1.00 0.00 O ATOM 734 CB LEU A 54 -2.637 -5.315 1.572 1.00 0.00 C ATOM 735 CG LEU A 54 -1.188 -5.508 1.122 1.00 0.00 C ATOM 736 CD1 LEU A 54 -1.084 -5.521 -0.404 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.274 -4.452 1.750 1.00 0.00 C ATOM 0 H LEU A 54 -5.069 -5.277 2.137 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.394 -6.938 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.078 -4.516 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.633 -4.976 2.608 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.847 -6.481 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.043 -5.660 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.685 -6.338 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.450 -4.574 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.751 -4.611 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.605 -3.458 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.317 -4.533 2.836 1.00 0.00 H new ATOM 749 N CYS A 55 -2.661 -8.752 1.883 1.00 0.00 N ATOM 750 CA CYS A 55 -2.261 -9.894 2.688 1.00 0.00 C ATOM 751 C CYS A 55 -0.863 -10.328 2.244 1.00 0.00 C ATOM 752 O CYS A 55 -0.204 -9.625 1.479 1.00 0.00 O ATOM 753 CB CYS A 55 -3.272 -11.038 2.588 1.00 0.00 C ATOM 754 SG CYS A 55 -4.380 -11.023 4.044 1.00 0.00 S ATOM 0 H CYS A 55 -2.520 -8.867 0.879 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.235 -9.610 3.740 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.858 -10.938 1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.749 -11.992 2.529 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.236 -11.997 3.948 1.00 0.00 H new ATOM 760 N VAL A 56 -0.450 -11.484 2.744 1.00 0.00 N ATOM 761 CA VAL A 56 0.858 -12.020 2.409 1.00 0.00 C ATOM 762 C VAL A 56 0.751 -12.851 1.129 1.00 0.00 C ATOM 763 O VAL A 56 -0.288 -13.451 0.859 1.00 0.00 O ATOM 764 CB VAL A 56 1.417 -12.813 3.592 1.00 0.00 C ATOM 765 CG1 VAL A 56 2.553 -13.735 3.146 1.00 0.00 C ATOM 766 CG2 VAL A 56 1.878 -11.876 4.711 1.00 0.00 C ATOM 0 H VAL A 56 -0.999 -12.064 3.379 1.00 0.00 H new ATOM 0 HA VAL A 56 1.564 -11.212 2.214 1.00 0.00 H new ATOM 0 HB VAL A 56 0.615 -13.437 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.932 -14.287 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.180 -14.437 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.357 -13.139 2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.271 -12.465 5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.658 -11.215 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.034 -11.280 5.058 1.00 0.00 H new ATOM 776 N GLY A 57 1.841 -12.860 0.375 1.00 0.00 N ATOM 777 CA GLY A 57 1.883 -13.607 -0.870 1.00 0.00 C ATOM 778 C GLY A 57 1.330 -12.775 -2.029 1.00 0.00 C ATOM 779 O GLY A 57 0.529 -13.265 -2.824 1.00 0.00 O ATOM 0 H GLY A 57 2.701 -12.362 0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.910 -13.901 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.303 -14.524 -0.767 1.00 0.00 H new ATOM 783 N ASP A 58 1.778 -11.530 -2.088 1.00 0.00 N ATOM 784 CA ASP A 58 1.338 -10.624 -3.135 1.00 0.00 C ATOM 785 C ASP A 58 2.545 -9.857 -3.681 1.00 0.00 C ATOM 786 O ASP A 58 3.543 -9.686 -2.983 1.00 0.00 O ATOM 787 CB ASP A 58 0.334 -9.604 -2.596 1.00 0.00 C ATOM 788 CG ASP A 58 -1.122 -10.074 -2.584 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.327 -11.280 -2.329 1.00 0.00 O ATOM 790 OD2 ASP A 58 -1.997 -9.216 -2.830 1.00 0.00 O ATOM 0 H ASP A 58 2.442 -11.127 -1.427 1.00 0.00 H new ATOM 0 HA ASP A 58 0.864 -11.218 -3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.622 -9.336 -1.580 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.402 -8.697 -3.197 1.00 0.00 H new ATOM 795 N LYS A 59 2.413 -9.416 -4.923 1.00 0.00 N ATOM 796 CA LYS A 59 3.480 -8.672 -5.570 1.00 0.00 C ATOM 797 C LYS A 59 2.916 -7.364 -6.130 1.00 0.00 C ATOM 798 O LYS A 59 2.281 -7.359 -7.183 1.00 0.00 O ATOM 799 CB LYS A 59 4.179 -9.539 -6.618 1.00 0.00 C ATOM 800 CG LYS A 59 5.164 -8.711 -7.447 1.00 0.00 C ATOM 801 CD LYS A 59 5.395 -9.346 -8.819 1.00 0.00 C ATOM 802 CE LYS A 59 6.038 -8.348 -9.784 1.00 0.00 C ATOM 803 NZ LYS A 59 6.017 -8.875 -11.167 1.00 0.00 N ATOM 0 H LYS A 59 1.583 -9.560 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 59 4.251 -8.404 -4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.708 -10.355 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.436 -9.992 -7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.779 -7.699 -7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.112 -8.629 -6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.036 -10.221 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.446 -9.693 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.505 -7.398 -9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.066 -8.150 -9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.457 -8.185 -11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.546 -9.770 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.033 -9.041 -11.460 1.00 0.00 H new ATOM 817 N ILE A 60 3.170 -6.287 -5.401 1.00 0.00 N ATOM 818 CA ILE A 60 2.696 -4.977 -5.812 1.00 0.00 C ATOM 819 C ILE A 60 3.458 -4.532 -7.061 1.00 0.00 C ATOM 820 O ILE A 60 4.668 -4.313 -7.010 1.00 0.00 O ATOM 821 CB ILE A 60 2.787 -3.985 -4.650 1.00 0.00 C ATOM 822 CG1 ILE A 60 1.885 -4.414 -3.491 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.480 -2.562 -5.119 1.00 0.00 C ATOM 824 CD1 ILE A 60 2.585 -4.208 -2.146 1.00 0.00 C ATOM 0 H ILE A 60 3.698 -6.295 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 60 1.641 -5.021 -6.081 1.00 0.00 H new ATOM 0 HB ILE A 60 3.812 -3.987 -4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.959 -3.840 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.613 -5.463 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.552 -1.877 -4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.197 -2.269 -5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.472 -2.525 -5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.922 -4.521 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.498 -4.802 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.834 -3.154 -2.023 1.00 0.00 H new ATOM 836 N THR A 61 2.720 -4.411 -8.155 1.00 0.00 N ATOM 837 CA THR A 61 3.312 -3.996 -9.415 1.00 0.00 C ATOM 838 C THR A 61 3.139 -2.490 -9.615 1.00 0.00 C ATOM 839 O THR A 61 3.999 -1.835 -10.203 1.00 0.00 O ATOM 840 CB THR A 61 2.683 -4.834 -10.531 1.00 0.00 C ATOM 841 OG1 THR A 61 1.332 -4.382 -10.585 1.00 0.00 O ATOM 842 CG2 THR A 61 2.566 -6.313 -10.158 1.00 0.00 C ATOM 0 H THR A 61 1.717 -4.593 -8.195 1.00 0.00 H new ATOM 0 HA THR A 61 4.388 -4.171 -9.424 1.00 0.00 H new ATOM 0 HB THR A 61 3.278 -4.735 -11.439 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.834 -4.748 -9.824 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.114 -6.862 -10.984 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.558 -6.716 -9.954 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.943 -6.416 -9.270 1.00 0.00 H new ATOM 850 N GLU A 62 2.022 -1.983 -9.115 1.00 0.00 N ATOM 851 CA GLU A 62 1.725 -0.565 -9.231 1.00 0.00 C ATOM 852 C GLU A 62 1.035 -0.061 -7.962 1.00 0.00 C ATOM 853 O GLU A 62 0.368 -0.827 -7.268 1.00 0.00 O ATOM 854 CB GLU A 62 0.871 -0.283 -10.469 1.00 0.00 C ATOM 855 CG GLU A 62 0.312 1.141 -10.437 1.00 0.00 C ATOM 856 CD GLU A 62 -0.627 1.388 -11.619 1.00 0.00 C ATOM 857 OE1 GLU A 62 -0.105 1.461 -12.753 1.00 0.00 O ATOM 858 OE2 GLU A 62 -1.845 1.498 -11.363 1.00 0.00 O ATOM 0 H GLU A 62 1.311 -2.529 -8.628 1.00 0.00 H new ATOM 0 HA GLU A 62 2.665 -0.026 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.471 -0.422 -11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.050 -0.999 -10.520 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.224 1.304 -9.502 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.132 1.858 -10.464 1.00 0.00 H new ATOM 865 N VAL A 63 1.218 1.224 -7.697 1.00 0.00 N ATOM 866 CA VAL A 63 0.622 1.839 -6.524 1.00 0.00 C ATOM 867 C VAL A 63 0.224 3.279 -6.854 1.00 0.00 C ATOM 868 O VAL A 63 0.919 3.961 -7.606 1.00 0.00 O ATOM 869 CB VAL A 63 1.581 1.741 -5.336 1.00 0.00 C ATOM 870 CG1 VAL A 63 0.903 2.199 -4.044 1.00 0.00 C ATOM 871 CG2 VAL A 63 2.132 0.321 -5.192 1.00 0.00 C ATOM 0 H VAL A 63 1.771 1.856 -8.275 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.286 1.309 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 63 2.421 2.409 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.607 2.119 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.582 3.235 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.036 1.569 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.811 0.279 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.308 -0.375 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.670 0.046 -6.099 1.00 0.00 H new ATOM 881 N ASN A 64 -0.891 3.699 -6.276 1.00 0.00 N ATOM 882 CA ASN A 64 -1.389 5.045 -6.500 1.00 0.00 C ATOM 883 C ASN A 64 -1.188 5.421 -7.969 1.00 0.00 C ATOM 884 O ASN A 64 -0.910 6.577 -8.286 1.00 0.00 O ATOM 885 CB ASN A 64 -0.631 6.062 -5.644 1.00 0.00 C ATOM 886 CG ASN A 64 -1.600 6.935 -4.843 1.00 0.00 C ATOM 887 OD1 ASN A 64 -2.326 7.755 -5.380 1.00 0.00 O ATOM 888 ND2 ASN A 64 -1.570 6.713 -3.532 1.00 0.00 N ATOM 0 H ASN A 64 -1.464 3.131 -5.652 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.445 5.063 -6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.042 5.540 -4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.012 6.692 -6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.179 7.245 -2.911 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.938 6.011 -3.148 1.00 0.00 H new ATOM 895 N GLY A 65 -1.336 4.423 -8.828 1.00 0.00 N ATOM 896 CA GLY A 65 -1.173 4.634 -10.256 1.00 0.00 C ATOM 897 C GLY A 65 0.292 4.486 -10.670 1.00 0.00 C ATOM 898 O GLY A 65 0.592 3.895 -11.706 1.00 0.00 O ATOM 0 H GLY A 65 -1.567 3.466 -8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.784 3.917 -10.805 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.531 5.628 -10.523 1.00 0.00 H new ATOM 902 N LEU A 66 1.167 5.033 -9.838 1.00 0.00 N ATOM 903 CA LEU A 66 2.594 4.970 -10.104 1.00 0.00 C ATOM 904 C LEU A 66 3.038 3.506 -10.131 1.00 0.00 C ATOM 905 O LEU A 66 2.710 2.737 -9.228 1.00 0.00 O ATOM 906 CB LEU A 66 3.365 5.828 -9.099 1.00 0.00 C ATOM 907 CG LEU A 66 3.144 7.339 -9.199 1.00 0.00 C ATOM 908 CD1 LEU A 66 4.405 8.105 -8.795 1.00 0.00 C ATOM 909 CD2 LEU A 66 2.658 7.731 -10.596 1.00 0.00 C ATOM 0 H LEU A 66 0.915 5.522 -8.979 1.00 0.00 H new ATOM 0 HA LEU A 66 2.818 5.390 -11.084 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.094 5.507 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.429 5.628 -9.221 1.00 0.00 H new ATOM 0 HG LEU A 66 2.359 7.617 -8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.221 9.176 -8.875 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.667 7.858 -7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.227 7.828 -9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.509 8.810 -10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.402 7.437 -11.336 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.716 7.226 -10.809 1.00 0.00 H new ATOM 921 N SER A 67 3.778 3.164 -11.176 1.00 0.00 N ATOM 922 CA SER A 67 4.270 1.806 -11.332 1.00 0.00 C ATOM 923 C SER A 67 5.564 1.624 -10.536 1.00 0.00 C ATOM 924 O SER A 67 6.363 2.553 -10.422 1.00 0.00 O ATOM 925 CB SER A 67 4.503 1.471 -12.807 1.00 0.00 C ATOM 926 OG SER A 67 3.449 0.678 -13.346 1.00 0.00 O ATOM 0 H SER A 67 4.049 3.804 -11.923 1.00 0.00 H new ATOM 0 HA SER A 67 3.514 1.122 -10.947 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.591 2.395 -13.379 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.448 0.939 -12.913 1.00 0.00 H new ATOM 0 HG SER A 67 3.633 0.487 -14.289 1.00 0.00 H new ATOM 932 N LEU A 68 5.731 0.421 -10.006 1.00 0.00 N ATOM 933 CA LEU A 68 6.914 0.106 -9.224 1.00 0.00 C ATOM 934 C LEU A 68 7.567 -1.160 -9.784 1.00 0.00 C ATOM 935 O LEU A 68 8.086 -1.981 -9.029 1.00 0.00 O ATOM 936 CB LEU A 68 6.564 0.011 -7.738 1.00 0.00 C ATOM 937 CG LEU A 68 5.533 1.019 -7.226 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.328 0.875 -5.717 1.00 0.00 C ATOM 939 CD2 LEU A 68 5.919 2.446 -7.619 1.00 0.00 C ATOM 0 H LEU A 68 5.067 -0.347 -10.103 1.00 0.00 H new ATOM 0 HA LEU A 68 7.649 0.907 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.192 -0.993 -7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.480 0.134 -7.161 1.00 0.00 H new ATOM 0 HG LEU A 68 4.577 0.802 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.591 1.603 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.974 -0.131 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.273 1.050 -5.203 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.170 3.142 -7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.890 2.691 -7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.973 2.522 -8.705 1.00 0.00 H new ATOM 951 N GLU A 69 7.521 -1.278 -11.103 1.00 0.00 N ATOM 952 CA GLU A 69 8.102 -2.429 -11.772 1.00 0.00 C ATOM 953 C GLU A 69 9.621 -2.277 -11.867 1.00 0.00 C ATOM 954 O GLU A 69 10.335 -3.258 -12.068 1.00 0.00 O ATOM 955 CB GLU A 69 7.483 -2.628 -13.157 1.00 0.00 C ATOM 956 CG GLU A 69 6.352 -3.657 -13.110 1.00 0.00 C ATOM 957 CD GLU A 69 6.332 -4.509 -14.380 1.00 0.00 C ATOM 958 OE1 GLU A 69 6.322 -3.900 -15.472 1.00 0.00 O ATOM 959 OE2 GLU A 69 6.329 -5.750 -14.231 1.00 0.00 O ATOM 0 H GLU A 69 7.090 -0.595 -11.726 1.00 0.00 H new ATOM 0 HA GLU A 69 7.882 -3.318 -11.181 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.099 -1.677 -13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.250 -2.957 -13.858 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.477 -4.300 -12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.396 -3.146 -12.995 1.00 0.00 H new ATOM 966 N SER A 70 10.070 -1.040 -11.718 1.00 0.00 N ATOM 967 CA SER A 70 11.492 -0.747 -11.784 1.00 0.00 C ATOM 968 C SER A 70 11.807 0.505 -10.962 1.00 0.00 C ATOM 969 O SER A 70 12.703 1.272 -11.312 1.00 0.00 O ATOM 970 CB SER A 70 11.949 -0.560 -13.232 1.00 0.00 C ATOM 971 OG SER A 70 13.365 -0.647 -13.361 1.00 0.00 O ATOM 0 H SER A 70 9.475 -0.229 -11.552 1.00 0.00 H new ATOM 0 HA SER A 70 12.036 -1.594 -11.366 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.481 -1.317 -13.860 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.611 0.410 -13.596 1.00 0.00 H new ATOM 0 HG SER A 70 13.790 -0.034 -12.725 1.00 0.00 H new ATOM 977 N THR A 71 11.055 0.671 -9.885 1.00 0.00 N ATOM 978 CA THR A 71 11.243 1.816 -9.010 1.00 0.00 C ATOM 979 C THR A 71 12.032 1.411 -7.764 1.00 0.00 C ATOM 980 O THR A 71 11.931 0.275 -7.302 1.00 0.00 O ATOM 981 CB THR A 71 9.865 2.401 -8.693 1.00 0.00 C ATOM 982 OG1 THR A 71 9.454 3.004 -9.917 1.00 0.00 O ATOM 983 CG2 THR A 71 9.937 3.568 -7.707 1.00 0.00 C ATOM 0 H THR A 71 10.314 0.032 -9.598 1.00 0.00 H new ATOM 0 HA THR A 71 11.837 2.591 -9.495 1.00 0.00 H new ATOM 0 HB THR A 71 9.224 1.620 -8.284 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.496 2.850 -10.052 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.933 3.946 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.380 3.227 -6.771 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.550 4.364 -8.130 1.00 0.00 H new ATOM 991 N THR A 72 12.801 2.363 -7.254 1.00 0.00 N ATOM 992 CA THR A 72 13.607 2.119 -6.070 1.00 0.00 C ATOM 993 C THR A 72 12.713 1.978 -4.836 1.00 0.00 C ATOM 994 O THR A 72 11.722 2.693 -4.698 1.00 0.00 O ATOM 995 CB THR A 72 14.629 3.251 -5.953 1.00 0.00 C ATOM 996 OG1 THR A 72 13.855 4.379 -5.555 1.00 0.00 O ATOM 997 CG2 THR A 72 15.210 3.659 -7.309 1.00 0.00 C ATOM 0 H THR A 72 12.883 3.304 -7.639 1.00 0.00 H new ATOM 0 HA THR A 72 14.150 1.177 -6.148 1.00 0.00 H new ATOM 0 HB THR A 72 15.437 2.942 -5.290 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.441 5.158 -5.454 1.00 0.00 H new ATOM 0 HG21 THR A 72 15.930 4.466 -7.169 1.00 0.00 H new ATOM 0 HG22 THR A 72 15.709 2.803 -7.764 1.00 0.00 H new ATOM 0 HG23 THR A 72 14.406 3.999 -7.962 1.00 0.00 H new ATOM 1005 N MET A 73 13.097 1.051 -3.971 1.00 0.00 N ATOM 1006 CA MET A 73 12.342 0.806 -2.753 1.00 0.00 C ATOM 1007 C MET A 73 12.008 2.119 -2.042 1.00 0.00 C ATOM 1008 O MET A 73 10.839 2.432 -1.826 1.00 0.00 O ATOM 1009 CB MET A 73 13.159 -0.088 -1.817 1.00 0.00 C ATOM 1010 CG MET A 73 12.389 -0.379 -0.527 1.00 0.00 C ATOM 1011 SD MET A 73 10.888 -1.269 -0.900 1.00 0.00 S ATOM 1012 CE MET A 73 11.302 -2.870 -0.229 1.00 0.00 C ATOM 0 H MET A 73 13.920 0.461 -4.089 1.00 0.00 H new ATOM 0 HA MET A 73 11.408 0.311 -3.020 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.399 -1.024 -2.320 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.105 0.398 -1.578 1.00 0.00 H new ATOM 0 HG2 MET A 73 13.009 -0.964 0.152 1.00 0.00 H new ATOM 0 HG3 MET A 73 12.151 0.555 -0.017 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.467 -3.554 -0.378 1.00 0.00 H new ATOM 0 HE2 MET A 73 12.185 -3.259 -0.735 1.00 0.00 H new ATOM 0 HE3 MET A 73 11.507 -2.776 0.837 1.00 0.00 H new ATOM 1022 N GLY A 74 13.057 2.852 -1.698 1.00 0.00 N ATOM 1023 CA GLY A 74 12.890 4.124 -1.016 1.00 0.00 C ATOM 1024 C GLY A 74 11.714 4.910 -1.601 1.00 0.00 C ATOM 1025 O GLY A 74 10.681 5.063 -0.951 1.00 0.00 O ATOM 0 H GLY A 74 14.026 2.589 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.724 3.951 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.804 4.711 -1.104 1.00 0.00 H new ATOM 1029 N SER A 75 11.910 5.386 -2.821 1.00 0.00 N ATOM 1030 CA SER A 75 10.879 6.151 -3.501 1.00 0.00 C ATOM 1031 C SER A 75 9.504 5.543 -3.218 1.00 0.00 C ATOM 1032 O SER A 75 8.639 6.199 -2.639 1.00 0.00 O ATOM 1033 CB SER A 75 11.136 6.204 -5.008 1.00 0.00 C ATOM 1034 OG SER A 75 11.999 7.280 -5.365 1.00 0.00 O ATOM 0 H SER A 75 12.768 5.257 -3.357 1.00 0.00 H new ATOM 0 HA SER A 75 10.903 7.172 -3.120 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.577 5.262 -5.334 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.187 6.310 -5.534 1.00 0.00 H new ATOM 0 HG SER A 75 12.140 7.279 -6.335 1.00 0.00 H new ATOM 1040 N ALA A 76 9.345 4.297 -3.638 1.00 0.00 N ATOM 1041 CA ALA A 76 8.090 3.593 -3.437 1.00 0.00 C ATOM 1042 C ALA A 76 7.597 3.837 -2.010 1.00 0.00 C ATOM 1043 O ALA A 76 6.425 4.144 -1.798 1.00 0.00 O ATOM 1044 CB ALA A 76 8.284 2.106 -3.741 1.00 0.00 C ATOM 0 H ALA A 76 10.065 3.756 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 76 7.326 3.968 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.342 1.578 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.606 1.985 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.042 1.694 -3.074 1.00 0.00 H new ATOM 1050 N VAL A 77 8.516 3.691 -1.067 1.00 0.00 N ATOM 1051 CA VAL A 77 8.189 3.891 0.335 1.00 0.00 C ATOM 1052 C VAL A 77 7.801 5.354 0.559 1.00 0.00 C ATOM 1053 O VAL A 77 6.802 5.641 1.217 1.00 0.00 O ATOM 1054 CB VAL A 77 9.358 3.441 1.214 1.00 0.00 C ATOM 1055 CG1 VAL A 77 9.059 3.693 2.693 1.00 0.00 C ATOM 1056 CG2 VAL A 77 9.696 1.970 0.966 1.00 0.00 C ATOM 0 H VAL A 77 9.487 3.436 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 77 7.332 3.280 0.619 1.00 0.00 H new ATOM 0 HB VAL A 77 10.230 4.035 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.905 3.365 3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.890 4.758 2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.168 3.136 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.530 1.676 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.828 1.353 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.972 1.831 -0.079 1.00 0.00 H new ATOM 1066 N LYS A 78 8.612 6.240 0.000 1.00 0.00 N ATOM 1067 CA LYS A 78 8.365 7.667 0.131 1.00 0.00 C ATOM 1068 C LYS A 78 6.918 7.968 -0.264 1.00 0.00 C ATOM 1069 O LYS A 78 6.337 8.950 0.196 1.00 0.00 O ATOM 1070 CB LYS A 78 9.399 8.464 -0.667 1.00 0.00 C ATOM 1071 CG LYS A 78 10.319 9.256 0.265 1.00 0.00 C ATOM 1072 CD LYS A 78 10.795 10.548 -0.402 1.00 0.00 C ATOM 1073 CE LYS A 78 11.455 11.480 0.616 1.00 0.00 C ATOM 1074 NZ LYS A 78 10.646 12.706 0.798 1.00 0.00 N ATOM 0 H LYS A 78 9.440 5.998 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 78 8.484 7.981 1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.993 7.785 -1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.891 9.146 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.791 9.493 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.179 8.645 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.503 10.312 -1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.949 11.054 -0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.566 10.965 1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.457 11.745 0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.108 13.327 1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.562 13.204 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.698 12.449 1.141 1.00 0.00 H new ATOM 1088 N VAL A 79 6.378 7.106 -1.112 1.00 0.00 N ATOM 1089 CA VAL A 79 5.010 7.268 -1.574 1.00 0.00 C ATOM 1090 C VAL A 79 4.081 6.404 -0.718 1.00 0.00 C ATOM 1091 O VAL A 79 3.002 6.845 -0.328 1.00 0.00 O ATOM 1092 CB VAL A 79 4.920 6.944 -3.067 1.00 0.00 C ATOM 1093 CG1 VAL A 79 3.480 7.069 -3.569 1.00 0.00 C ATOM 1094 CG2 VAL A 79 5.862 7.835 -3.879 1.00 0.00 C ATOM 0 H VAL A 79 6.863 6.293 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 79 4.689 8.303 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 79 5.235 5.910 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.444 6.834 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.842 6.375 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.127 8.088 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.779 7.584 -4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.591 8.880 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.888 7.676 -3.548 1.00 0.00 H new ATOM 1104 N LEU A 80 4.536 5.188 -0.451 1.00 0.00 N ATOM 1105 CA LEU A 80 3.760 4.259 0.351 1.00 0.00 C ATOM 1106 C LEU A 80 3.665 4.785 1.785 1.00 0.00 C ATOM 1107 O LEU A 80 2.898 4.262 2.593 1.00 0.00 O ATOM 1108 CB LEU A 80 4.343 2.848 0.252 1.00 0.00 C ATOM 1109 CG LEU A 80 4.061 2.096 -1.051 1.00 0.00 C ATOM 1110 CD1 LEU A 80 5.286 1.296 -1.498 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.818 1.214 -0.917 1.00 0.00 C ATOM 0 H LEU A 80 5.432 4.826 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 80 2.742 4.186 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.423 2.912 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.954 2.257 1.081 1.00 0.00 H new ATOM 0 HG LEU A 80 3.853 2.829 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.059 0.771 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.124 1.974 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.549 0.572 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.640 0.691 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.972 0.486 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.955 1.835 -0.679 1.00 0.00 H new ATOM 1123 N THR A 81 4.456 5.813 2.057 1.00 0.00 N ATOM 1124 CA THR A 81 4.471 6.415 3.379 1.00 0.00 C ATOM 1125 C THR A 81 3.745 7.762 3.360 1.00 0.00 C ATOM 1126 O THR A 81 3.730 8.478 4.360 1.00 0.00 O ATOM 1127 CB THR A 81 5.927 6.516 3.836 1.00 0.00 C ATOM 1128 OG1 THR A 81 5.846 7.123 5.123 1.00 0.00 O ATOM 1129 CG2 THR A 81 6.734 7.515 3.004 1.00 0.00 C ATOM 0 H THR A 81 5.091 6.244 1.385 1.00 0.00 H new ATOM 0 HA THR A 81 3.931 5.801 4.099 1.00 0.00 H new ATOM 0 HB THR A 81 6.394 5.533 3.777 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.156 7.819 5.114 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.760 7.548 3.370 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.731 7.204 1.959 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.286 8.505 3.089 1.00 0.00 H new ATOM 1137 N SER A 82 3.162 8.067 2.210 1.00 0.00 N ATOM 1138 CA SER A 82 2.437 9.316 2.047 1.00 0.00 C ATOM 1139 C SER A 82 1.048 9.042 1.466 1.00 0.00 C ATOM 1140 O SER A 82 0.449 8.004 1.743 1.00 0.00 O ATOM 1141 CB SER A 82 3.206 10.286 1.149 1.00 0.00 C ATOM 1142 OG SER A 82 2.605 11.578 1.120 1.00 0.00 O ATOM 0 H SER A 82 3.177 7.471 1.382 1.00 0.00 H new ATOM 0 HA SER A 82 2.329 9.780 3.028 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.233 10.372 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.251 9.884 0.137 1.00 0.00 H new ATOM 0 HG SER A 82 3.127 12.168 0.537 1.00 0.00 H new ATOM 1148 N SER A 83 0.577 9.991 0.671 1.00 0.00 N ATOM 1149 CA SER A 83 -0.730 9.866 0.048 1.00 0.00 C ATOM 1150 C SER A 83 -1.790 9.571 1.112 1.00 0.00 C ATOM 1151 O SER A 83 -1.461 9.333 2.272 1.00 0.00 O ATOM 1152 CB SER A 83 -0.729 8.768 -1.018 1.00 0.00 C ATOM 1153 OG SER A 83 0.352 8.916 -1.934 1.00 0.00 O ATOM 0 H SER A 83 1.077 10.850 0.444 1.00 0.00 H new ATOM 0 HA SER A 83 -0.968 10.810 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.664 7.793 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.672 8.791 -1.563 1.00 0.00 H new ATOM 0 HG SER A 83 0.319 8.196 -2.598 1.00 0.00 H new ATOM 1159 N SER A 84 -3.042 9.598 0.677 1.00 0.00 N ATOM 1160 CA SER A 84 -4.152 9.337 1.578 1.00 0.00 C ATOM 1161 C SER A 84 -4.902 8.080 1.132 1.00 0.00 C ATOM 1162 O SER A 84 -5.819 7.626 1.815 1.00 0.00 O ATOM 1163 CB SER A 84 -5.106 10.532 1.636 1.00 0.00 C ATOM 1164 OG SER A 84 -4.491 11.678 2.218 1.00 0.00 O ATOM 0 H SER A 84 -3.312 9.796 -0.286 1.00 0.00 H new ATOM 0 HA SER A 84 -3.751 9.178 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.445 10.775 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.990 10.262 2.214 1.00 0.00 H new ATOM 0 HG SER A 84 -5.131 12.420 2.235 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.485 7.554 -0.010 1.00 0.00 N ATOM 1171 CA ARG A 85 -5.107 6.359 -0.554 1.00 0.00 C ATOM 1172 C ARG A 85 -4.130 5.626 -1.477 1.00 0.00 C ATOM 1173 O ARG A 85 -4.004 5.969 -2.651 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.375 6.705 -1.337 1.00 0.00 C ATOM 1175 CG ARG A 85 -6.196 8.005 -2.123 1.00 0.00 C ATOM 1176 CD ARG A 85 -6.604 7.823 -3.586 1.00 0.00 C ATOM 1177 NE ARG A 85 -5.690 8.584 -4.466 1.00 0.00 N ATOM 1178 CZ ARG A 85 -5.763 9.908 -4.660 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -6.709 10.625 -4.038 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -4.891 10.515 -5.476 1.00 0.00 N ATOM 0 H ARG A 85 -3.724 7.933 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.376 5.715 0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.617 5.892 -2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.215 6.804 -0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.797 8.794 -1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.156 8.326 -2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.579 6.766 -3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.629 8.164 -3.731 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.959 8.069 -4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.373 10.163 -3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.765 11.633 -4.186 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.171 9.969 -5.950 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.947 11.523 -5.623 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.465 4.630 -0.910 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.504 3.846 -1.667 1.00 0.00 C ATOM 1196 C LEU A 86 -3.243 2.761 -2.452 1.00 0.00 C ATOM 1197 O LEU A 86 -3.744 1.801 -1.869 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.411 3.302 -0.744 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.513 4.346 -0.078 1.00 0.00 C ATOM 1200 CD1 LEU A 86 -1.314 5.589 0.313 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.234 3.747 1.115 1.00 0.00 C ATOM 0 H LEU A 86 -3.573 4.348 0.064 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.990 4.473 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.886 2.709 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.781 2.625 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 86 0.238 4.661 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.652 6.315 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.760 6.030 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.102 5.309 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.865 4.511 1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.485 3.385 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.855 2.918 0.776 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.286 2.950 -3.763 1.00 0.00 N ATOM 1214 CA HIS A 87 -3.956 1.999 -4.634 1.00 0.00 C ATOM 1215 C HIS A 87 -2.924 1.053 -5.250 1.00 0.00 C ATOM 1216 O HIS A 87 -2.422 1.303 -6.345 1.00 0.00 O ATOM 1217 CB HIS A 87 -4.797 2.725 -5.686 1.00 0.00 C ATOM 1218 CG HIS A 87 -6.287 2.567 -5.497 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -7.145 3.646 -5.374 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -7.061 1.447 -5.412 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -8.377 3.184 -5.222 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -8.323 1.822 -5.245 1.00 0.00 N ATOM 0 H HIS A 87 -2.868 3.747 -4.243 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.651 1.394 -4.052 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.549 3.786 -5.665 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.525 2.353 -6.674 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -6.875 4.629 -5.397 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.707 0.428 -5.471 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.268 3.782 -5.101 1.00 0.00 H new ATOM 1230 N MET A 88 -2.636 -0.015 -4.519 1.00 0.00 N ATOM 1231 CA MET A 88 -1.673 -1.000 -4.980 1.00 0.00 C ATOM 1232 C MET A 88 -2.356 -2.088 -5.811 1.00 0.00 C ATOM 1233 O MET A 88 -3.403 -2.605 -5.424 1.00 0.00 O ATOM 1234 CB MET A 88 -0.979 -1.638 -3.775 1.00 0.00 C ATOM 1235 CG MET A 88 -0.137 -0.609 -3.018 1.00 0.00 C ATOM 1236 SD MET A 88 -0.077 -1.026 -1.284 1.00 0.00 S ATOM 1237 CE MET A 88 -1.693 -0.463 -0.773 1.00 0.00 C ATOM 0 H MET A 88 -3.053 -0.219 -3.611 1.00 0.00 H new ATOM 0 HA MET A 88 -0.939 -0.496 -5.609 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.725 -2.066 -3.105 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.343 -2.458 -4.109 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.872 -0.580 -3.429 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.562 0.386 -3.147 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.586 0.292 0.006 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.215 -0.031 -1.627 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.266 -1.305 -0.386 1.00 0.00 H new ATOM 1247 N MET A 89 -1.736 -2.403 -6.939 1.00 0.00 N ATOM 1248 CA MET A 89 -2.271 -3.420 -7.828 1.00 0.00 C ATOM 1249 C MET A 89 -1.290 -4.584 -7.982 1.00 0.00 C ATOM 1250 O MET A 89 -0.180 -4.404 -8.480 1.00 0.00 O ATOM 1251 CB MET A 89 -2.551 -2.803 -9.200 1.00 0.00 C ATOM 1252 CG MET A 89 -3.163 -1.408 -9.059 1.00 0.00 C ATOM 1253 SD MET A 89 -4.729 -1.339 -9.913 1.00 0.00 S ATOM 1254 CE MET A 89 -5.755 -2.225 -8.751 1.00 0.00 C ATOM 0 H MET A 89 -0.868 -1.972 -7.257 1.00 0.00 H new ATOM 0 HA MET A 89 -3.196 -3.803 -7.397 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.625 -2.742 -9.771 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.229 -3.447 -9.761 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.303 -1.168 -8.005 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.483 -0.661 -9.468 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.737 -2.400 -9.192 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.290 -3.181 -8.510 1.00 0.00 H new ATOM 0 HE3 MET A 89 -5.866 -1.636 -7.841 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.736 -5.753 -7.546 1.00 0.00 N ATOM 1265 CA VAL A 90 -0.912 -6.947 -7.630 1.00 0.00 C ATOM 1266 C VAL A 90 -1.381 -7.804 -8.807 1.00 0.00 C ATOM 1267 O VAL A 90 -2.536 -7.717 -9.222 1.00 0.00 O ATOM 1268 CB VAL A 90 -0.939 -7.696 -6.296 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.340 -6.843 -5.176 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.361 -8.141 -5.946 1.00 0.00 C ATOM 0 H VAL A 90 -2.657 -5.899 -7.133 1.00 0.00 H new ATOM 0 HA VAL A 90 0.128 -6.681 -7.817 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.324 -8.590 -6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.371 -7.399 -4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.694 -6.598 -5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.915 -5.923 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.352 -8.671 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.007 -7.267 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.737 -8.803 -6.726 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.462 -8.614 -9.311 1.00 0.00 N ATOM 1281 CA ARG A 91 -0.768 -9.487 -10.432 1.00 0.00 C ATOM 1282 C ARG A 91 -0.765 -10.949 -9.983 1.00 0.00 C ATOM 1283 O ARG A 91 0.261 -11.466 -9.543 1.00 0.00 O ATOM 1284 CB ARG A 91 0.247 -9.306 -11.563 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.198 -8.207 -12.529 1.00 0.00 C ATOM 1286 CD ARG A 91 0.652 -8.217 -13.801 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.217 -8.080 -14.992 1.00 0.00 N ATOM 1288 CZ ARG A 91 -0.641 -6.907 -15.480 1.00 0.00 C ATOM 1289 NH1 ARG A 91 -0.280 -5.762 -14.884 1.00 0.00 N ATOM 1290 NH2 ARG A 91 -1.427 -6.877 -16.565 1.00 0.00 N ATOM 0 H ARG A 91 0.495 -8.684 -8.964 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.758 -9.219 -10.800 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.222 -9.055 -11.145 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.365 -10.245 -12.104 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.247 -8.348 -12.788 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.118 -7.235 -12.042 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.374 -7.401 -13.772 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.221 -9.145 -13.861 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.511 -8.932 -15.470 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.318 -5.783 -14.058 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.603 -4.869 -15.256 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.703 -7.748 -17.019 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.750 -5.984 -16.936 1.00 0.00 H new ATOM 1304 N ARG A 92 -1.926 -11.576 -10.108 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.071 -12.968 -9.720 1.00 0.00 C ATOM 1306 C ARG A 92 -2.568 -13.800 -10.903 1.00 0.00 C ATOM 1307 O ARG A 92 -3.408 -13.344 -11.678 1.00 0.00 O ATOM 1308 CB ARG A 92 -3.050 -13.116 -8.554 1.00 0.00 C ATOM 1309 CG ARG A 92 -2.871 -14.466 -7.855 1.00 0.00 C ATOM 1310 CD ARG A 92 -2.904 -14.305 -6.334 1.00 0.00 C ATOM 1311 NE ARG A 92 -1.526 -14.334 -5.793 1.00 0.00 N ATOM 1312 CZ ARG A 92 -0.812 -15.454 -5.617 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -1.340 -16.643 -5.938 1.00 0.00 N ATOM 1314 NH2 ARG A 92 0.431 -15.384 -5.119 1.00 0.00 N ATOM 0 H ARG A 92 -2.775 -11.145 -10.473 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.092 -13.328 -9.405 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.894 -12.309 -7.839 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.073 -13.025 -8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.660 -15.149 -8.169 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.924 -14.913 -8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.388 -13.365 -6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.496 -15.104 -5.888 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.093 -13.446 -5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.286 -16.696 -6.316 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.796 -17.495 -5.804 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.832 -14.479 -4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.975 -16.236 -4.985 1.00 0.00 H new ATOM 1328 N MET A 93 -2.029 -15.006 -11.006 1.00 0.00 N ATOM 1329 CA MET A 93 -2.408 -15.906 -12.082 1.00 0.00 C ATOM 1330 C MET A 93 -3.825 -16.445 -11.873 1.00 0.00 C ATOM 1331 O MET A 93 -4.422 -16.238 -10.818 1.00 0.00 O ATOM 1332 CB MET A 93 -1.421 -17.074 -12.143 1.00 0.00 C ATOM 1333 CG MET A 93 -0.055 -16.611 -12.654 1.00 0.00 C ATOM 1334 SD MET A 93 0.829 -17.989 -13.365 1.00 0.00 S ATOM 1335 CE MET A 93 0.708 -17.574 -15.097 1.00 0.00 C ATOM 0 H MET A 93 -1.333 -15.381 -10.362 1.00 0.00 H new ATOM 0 HA MET A 93 -2.385 -15.351 -13.020 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.312 -17.515 -11.152 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.813 -17.853 -12.797 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.183 -15.827 -13.400 1.00 0.00 H new ATOM 0 HG3 MET A 93 0.522 -16.181 -11.835 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.212 -18.337 -15.690 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.342 -17.524 -15.387 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.179 -16.607 -15.273 1.00 0.00 H new ATOM 1345 N GLY A 94 -4.322 -17.125 -12.896 1.00 0.00 N ATOM 1346 CA GLY A 94 -5.657 -17.695 -12.838 1.00 0.00 C ATOM 1347 C GLY A 94 -5.960 -18.240 -11.441 1.00 0.00 C ATOM 1348 O GLY A 94 -6.574 -17.556 -10.623 1.00 0.00 O ATOM 0 H GLY A 94 -3.824 -17.294 -13.770 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.392 -16.936 -13.103 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.747 -18.496 -13.572 1.00 0.00 H new ATOM 1352 N SER A 95 -5.516 -19.467 -11.210 1.00 0.00 N ATOM 1353 CA SER A 95 -5.732 -20.111 -9.925 1.00 0.00 C ATOM 1354 C SER A 95 -4.911 -21.400 -9.842 1.00 0.00 C ATOM 1355 O SER A 95 -4.525 -21.961 -10.866 1.00 0.00 O ATOM 1356 CB SER A 95 -7.215 -20.411 -9.702 1.00 0.00 C ATOM 1357 OG SER A 95 -7.765 -21.198 -10.756 1.00 0.00 O ATOM 0 H SER A 95 -5.008 -20.032 -11.890 1.00 0.00 H new ATOM 0 HA SER A 95 -5.406 -19.428 -9.141 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.340 -20.935 -8.755 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.767 -19.474 -9.623 1.00 0.00 H new ATOM 0 HG SER A 95 -8.713 -21.369 -10.576 1.00 0.00 H new ATOM 1363 N GLY A 96 -4.670 -21.831 -8.613 1.00 0.00 N ATOM 1364 CA GLY A 96 -3.902 -23.043 -8.383 1.00 0.00 C ATOM 1365 C GLY A 96 -4.730 -24.080 -7.621 1.00 0.00 C ATOM 1366 O GLY A 96 -4.832 -24.021 -6.397 1.00 0.00 O ATOM 0 H GLY A 96 -4.993 -21.363 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.579 -23.460 -9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.001 -22.805 -7.818 1.00 0.00 H new ATOM 1370 N PRO A 97 -5.316 -25.031 -8.398 1.00 0.00 N ATOM 1371 CA PRO A 97 -6.131 -26.080 -7.809 1.00 0.00 C ATOM 1372 C PRO A 97 -5.260 -27.131 -7.119 1.00 0.00 C ATOM 1373 O PRO A 97 -4.628 -27.951 -7.783 1.00 0.00 O ATOM 1374 CB PRO A 97 -6.940 -26.645 -8.966 1.00 0.00 C ATOM 1375 CG PRO A 97 -6.215 -26.214 -10.231 1.00 0.00 C ATOM 1376 CD PRO A 97 -5.217 -25.133 -9.851 1.00 0.00 C ATOM 0 HA PRO A 97 -6.789 -25.710 -7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.005 -27.731 -8.904 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.961 -26.264 -8.952 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.704 -27.062 -10.686 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.924 -25.837 -10.968 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.207 -25.400 -10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -5.458 -24.185 -10.332 1.00 0.00 H new ATOM 1384 N SER A 98 -5.253 -27.072 -5.796 1.00 0.00 N ATOM 1385 CA SER A 98 -4.470 -28.008 -5.009 1.00 0.00 C ATOM 1386 C SER A 98 -5.088 -28.169 -3.618 1.00 0.00 C ATOM 1387 O SER A 98 -5.348 -29.287 -3.176 1.00 0.00 O ATOM 1388 CB SER A 98 -3.015 -27.548 -4.893 1.00 0.00 C ATOM 1389 OG SER A 98 -2.365 -27.510 -6.160 1.00 0.00 O ATOM 0 H SER A 98 -5.778 -26.390 -5.249 1.00 0.00 H new ATOM 0 HA SER A 98 -4.479 -28.972 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.983 -26.557 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.474 -28.221 -4.228 1.00 0.00 H new ATOM 0 HG SER A 98 -1.439 -27.210 -6.044 1.00 0.00 H new ATOM 1395 N SER A 99 -5.305 -27.035 -2.968 1.00 0.00 N ATOM 1396 CA SER A 99 -5.887 -27.036 -1.637 1.00 0.00 C ATOM 1397 C SER A 99 -4.972 -27.785 -0.665 1.00 0.00 C ATOM 1398 O SER A 99 -4.869 -29.009 -0.723 1.00 0.00 O ATOM 1399 CB SER A 99 -7.281 -27.667 -1.646 1.00 0.00 C ATOM 1400 OG SER A 99 -8.305 -26.702 -1.421 1.00 0.00 O ATOM 0 H SER A 99 -5.088 -26.110 -3.338 1.00 0.00 H new ATOM 0 HA SER A 99 -5.987 -26.002 -1.307 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.450 -28.159 -2.604 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.335 -28.439 -0.878 1.00 0.00 H new ATOM 0 HG SER A 99 -9.180 -27.144 -1.436 1.00 0.00 H new ATOM 1406 N GLY A 100 -4.332 -27.017 0.204 1.00 0.00 N ATOM 1407 CA GLY A 100 -3.429 -27.593 1.187 1.00 0.00 C ATOM 1408 C GLY A 100 -3.209 -26.633 2.358 1.00 0.00 C ATOM 1409 O GLY A 100 -3.239 -27.044 3.517 1.00 0.00 O ATOM 0 H GLY A 100 -4.420 -26.002 0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.839 -28.534 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.473 -27.824 0.717 1.00 0.00 H new TER 1413 GLY A 100